Methyl N-((1S)-1-(((5S)-5-((4-aminophenyl)sulfonyl-isobutyl-amino)-6-hydroxy-hexyl)carbamoyl)-2,2-diphenyl-ethyl)carbamate

Basic Information

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CAS Number

612547-11-2

Molecular Formula

C33H44N4O6S

Molecular Weight

624.8 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Density

1.217

SMILES

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CC(C)CN(C(CCCCNC(=O)C(C(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)OC)CO)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C33H44N4O6S/c1-24(2)22-37(44(41,42)29-19-17-27(34)18-20-29)28(23-38)16-10-11-21-35-32(39)31(36-33(40)43-3)30(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15,17-20,24,28,30-31,38H,10-11,16,21-23,34H2,1-3H3,(H,35,39)(H,36,40)/t28-,31-/m0/s1

InChIKey

QAHLFXYLXBBCPS-IZEXYCQBSA-N

LogP

4.119600000000002

Topological Polar Surface Area

151.06 Å²

Hydrogen Bond Donor/Acceptor

5 / 10

Complexity

936

Synonyms & References

English

N-[(5s)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhex Yl]-nα-(methoxycarbonyl)-β-phenyl-l-phenylalaninamide
HYPERFORIN MIX(P)
(1S,5R,7S,8R)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-en-2,9-dione
(1S,5S)-(1-{5-[(4-amino-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2,2-diphenyl-ethyl)-carbamic acid methyl ester
Bicyclo[3.3.1]non-3-ene-2,9-dione, 4-hydroxy-6-
4-HYDROXY-6R-METHYL-1R,3,7S-TRIS(3-METHYL-2-BUTENYL)-5S-(2-METHYL-1-OXOPROPYL)-6R-(4-METHYL-3-PENTENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE
methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-penten-1-yl)-,(1R,5S,6R,7S)-
N-[(1S)-1-[[[(5S)-5-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-6-hydroxyhexyl]amino]carbonyl]-2,2-diphenylethyl]Carbamic acid methyl ester
PL-100
4-HYDROXY-6R-METHYL-1R,3,7S-TRIS(3-METHYL-2-BUTENYL)-5S-(2-METHYL-1-OXOPROPYL)-6R-(4-METHYL-3-PENT
Methyl ((S)-1-(((S)-5-((4-amino-N-isobutylphenyl)sulfonamido)-6-hydroxyhexyl)amino)-1-oxo-3,3-diphenylpropan-2-yl)carbamate
((1S)-1-{(5S)-5-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2,2-diphenyl-ethyl)-carbamic acid methyl ester
Q27457059
UNII-JRI5GOF0K0
methyl N-[(1S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]carbamoyl]-2,2-diphenyl-ethyl]carbamate
TMB-607
AKOS032946180
PPL-100
Methyl N-((1S)-1-(((5S)-5-((4-aminophenyl)sulfonyl-isobutyl-amino)-6-hydroxy-hexyl)carbamoyl)-2,2-diphenyl-ethyl)carbamate
612547-11-2
methyl N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
PL 100
EX-A518
CHEMBL168640
QAHLFXYLXBBCPS-IZEXYCQBSA-N
carbamic acid, [(1S)-1-[[[(5S)-5-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-6-hydroxyhexyl]amino]carbonyl]-2,2-diphenylethyl]-, methyl ester
SCHEMBL757685
J-690335
BDBM50482335
PPL 100
MK-8122

MDL Number

MFCD12761284

FAQ

What are the physical and chemical properties of Methyl N-((1S)-1-(((5S)-5-((4-aminophenyl)sulfonyl-isobutyl-amino)-6-hydroxy-hexyl)carbamoyl)-2,2-diphenyl-ethyl)carbamate (CAS: 612547-11-2)?

The compound has a crystalline form with a molecular weight of approximately 1069.33 g/mol. It is poorly soluble in water but soluble in organic solvents like dichloromethane and ethanol. Chemically, it is reactive towards nucleophiles and can undergo hydrolysis under basic conditions. Its solubility and reactivity make it suitable for specific chemical reactions and applications.

How is Methyl N-((1S)-1-(((5S)-5-((4-aminophenyl)sulfonyl-isobutyl-amino)-6-hydroxy-hexyl)carbamoyl)-2,2-diphenyl-ethyl)carbamate (CAS: 612547-11-2) typically synthesized?

The compound is typically synthesized via the condensation of an isobutylamine derivative with a hexylamine, followed by coupling with a 5-aminosulfonyl-isobutyl derivative. The process involves the use of coupling reagents and protective groups to ensure high selectivity and yield, which can vary depending on the specific conditions and reagents used.

What industries use Methyl N-((1S)-1-(((5S)-5-((4-aminophenyl)sulfonyl-isobutyl-amino)-6-hydroxy-hexyl)carbamoyl)-2,2-diphenyl-ethyl)carbamate (CAS: 612547-11-2)?

This compound is primarily used in the pharmaceutical industry for developing new drugs and in research for its unique chemical structure. It may also find applications in the polymer industry for its ability to enhance material properties and in the electronics sector for its potential use in semiconductors and sensors.

What precautions should be taken when handling Methyl N-((1S)-1-(((5S)-5-((4-aminophenyl)sulfonyl-isobutyl-amino)-6-hydroxy-hexyl)carbamoyl)-2,2-diphenyl-ethyl)carbamate (CAS: 612547-11-2)?

Precautions include the use of personal protective equipment (PPE) such as gloves and goggles, as well as working in a fume hood to minimize exposure to airborne particles. Spills should be handled with care, using appropriate absorbent materials, and the incident should be reported to the safety officer. Always refer to the Safety Data Sheet (SDS) for detailed safety information and guidelines.

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

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Compound Q&A

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Compound Q&A

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Methyl N-((1S)-1-(((5S)-5-((4-aminophenyl)sulfonyl-isobutyl-amino)-6-hydroxy-hexyl)carbamoyl)-2,2-diphenyl-ethyl)carbamate | CAS No. 612547-11-2

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Density

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of Methyl N-((1S)-1-(((5S)-5-((4-aminophenyl)sulfonyl-isobutyl-amino)-6-hydroxy-hexyl)carbamoyl)-2,2-diphenyl-ethyl)carbamate (CAS: 612547-11-2)?

How is Methyl N-((1S)-1-(((5S)-5-((4-aminophenyl)sulfonyl-isobutyl-amino)-6-hydroxy-hexyl)carbamoyl)-2,2-diphenyl-ethyl)carbamate (CAS: 612547-11-2) typically synthesized?

What industries use Methyl N-((1S)-1-(((5S)-5-((4-aminophenyl)sulfonyl-isobutyl-amino)-6-hydroxy-hexyl)carbamoyl)-2,2-diphenyl-ethyl)carbamate (CAS: 612547-11-2)?

What precautions should be taken when handling Methyl N-((1S)-1-(((5S)-5-((4-aminophenyl)sulfonyl-isobutyl-amino)-6-hydroxy-hexyl)carbamoyl)-2,2-diphenyl-ethyl)carbamate (CAS: 612547-11-2)?

Related Compounds

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