1-(4-(2-(Azepan-1-yl)ethoxy)benzyl)-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole | CAS No. 198480-21-6

1-(4-(2-(Azepan-1-yl)ethoxy)benzyl)-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole

Basic Information

CAS Number

198480-21-6

Molecular Formula

C44H46N2O3

Molecular Weight

650.86 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (3.1E-6 g/L) (25 ºC),

CC1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4=CC=C(C=C4)OCCN5CCCCCC5)C6=CC=C(C=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C44H46N2O3/c1-34-42-30-41(49-33-37-14-8-5-9-15-37)24-25-43(42)46(44(34)38-18-22-40(23-19-38)48-32-36-12-6-4-7-13-36)31-35-16-20-39(21-17-35)47-29-28-45-26-10-2-3-11-27-45/h4-9,12-25,30H,2-3,10-11,26-29,31-33H2,1H3

InChIKey

NXAHBBRIVLXMQA-UHFFFAOYSA-N

LogP

10.077819999999996

Topological Polar Surface Area

35.86000000000001 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

911

Synonyms & References

English

  • 1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole
  • 1-[4-(2-Azepan-1-Yl-Ethoxy)-Benzyl]-5-Benzyloxy-2-(4-Benzyloxy-Phenyl)-3-Methyl-1H-Indole
  • 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole
  • Bazedoxifene impurity 7
  • 5-Benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1-[4-(2-azepan-1-yl-ethoxy)-benzyl]-1H-indole
  • 1-[4-(2-(Azepan-1-yl)ethoxy)benzyl]-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole
  • NXAHBBRIVLXMQA-UHFFFAOYSA-N
  • EBD16351
  • BCP14168
  • 5-Benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1-[4-(2-azepan-1-yl-ethoxy)-be
  • DS-12416
  • 1-[4-(2-azepan-1-yl-ethoxy)benzyl]-2-(4-benzyloxyphenyl)-5-benzyloxy-3-methyl-1H-indole
  • CS-0020959
  • 1-[4-[2-(Azepan-1-yl)ethoxy]benzyl]-5-(benzyloxy)-2-[4-(benzyloxy)phenyl]-3-methyl-1H-indole
  • SCHEMBL637818
  • 1-[[4-[2-(Hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole
  • Bazedoxifene Impurity 7
  • MFCD09833278
  • 198480-21-6
  • 1-[4-(2-AZEPAN-1-YL-ETHOXY)-BENZYL]-5-BENZYLOXY-2-(4-BENZYLOXY-PHENYL)-3-METHYL-1H-INDOLE
  • YHA48021
  • AKOS000282515
  • SY244225
  • AC-27662
  • 1-(4-(2-(Azepan-1-yl)ethoxy)benzyl)-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole
  • 1H-Indole, 1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-
  • 1-[4-(2-(Azepan-1-yl)ethoxy)benzyl]-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole-d4
  • 1-({4-[2-(AZEPAN-1-YL)ETHOXY]PHENYL}METHYL)-5-(BENZYLOXY)-2-[4-(BENZYLOXY)PHENYL]-3-METHYLINDOLE
  • 5-Benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1-[4-(2-azepan-1 -yl-ethoxy)-benzyl]-1H-indole
  • C44H46N2O3
  • AMY12142

MDL Number

MFCD09833278

FAQ

What regulatory guidelines apply to 1-(4-(2-(Azepan-1-yl)ethoxy)benzyl)-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole (CAS: 198480-21-6)?

This compound is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It is advisable to check the specific classification and handling instructions based on the intended use and storage conditions.

Are there alternatives to 1-(4-(2-(Azepan-1-yl)ethoxy)benzyl)-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole (CAS: 198480-21-6) in synthesis?

While specific alternatives may vary based on the desired end product, common substitutes include structurally similar compounds such as analogs and isomers. Common alternative reagents used in synthesis include various alcohols, amines, and halides, which can be explored for specific applications.

What is the market or research trend for 1-(4-(2-(Azepan-1-yl)ethoxy)benzyl)-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole (CAS: 198480-21-6)?

The market trend for this compound reflects increasing research interest in its potential applications in pharmaceuticals and materials science. Recent research is focusing on its use as an intermediate in drug synthesis and as a functional material due to its unique chemical properties.

How should waste containing 1-(4-(2-(Azepan-1-yl)ethoxy)benzyl)-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole (CAS: 198480-21-6) be handled?

Waste containing this compound should be collected in appropriate containers and stored under controlled conditions to prevent degradation. It is recommended to dispose of the waste through professional waste disposal services that comply with local regulations. Environmental protection measures should include proper incineration or chemical treatment to ensure safe disposal.

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