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Methyl 4-(4-{[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate | CAS No. 1235865-76-5

Methyl 4-(4-{[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate

Basic Information

Chemical_Structure_Of

CAS Number

1235865-76-5

Molecular Formula

C34H37ClN4O3

Molecular Weight

585.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Solubility

Insuluble (5.3E-4 g/L) (25 ºC),

SMILES

CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)OC)C

InChI

InChI=1S/C34H37ClN4O3/c1-34(2)12-10-25(30(20-34)23-4-6-26(35)7-5-23)22-38-14-16-39(17-15-38)27-8-9-29(33(40)41-3)31(19-27)42-28-18-24-11-13-36-32(24)37-21-28/h4-9,11,13,18-19,21H,10,12,14-17,20,22H2,1-3H3,(H,36,37)

InChIKey

WTJICTJVHMECBX-UHFFFAOYSA-N

LogP

7.581100000000006

Topological Polar Surface Area

70.69 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

958

Synonyms & References

English

methyl 2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)benzoate
Methyl 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoate
Methyl 2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazin-1-yl]benzoate
BCP18508
methyl 4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate

MDL Number

MFCD28129980

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate structure

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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Supplier Information

ShangHaiBaiJiYiYao Technology Co Ltd

CAS Number: 1235865-76-5

Shanghai Kewei Chemical Technology Co., Ltd.

CAS Number: 1235865-76-5

Jin Jinle (Hunan) Chemical Co., Ltd.

CAS Number: 1235865-76-5

ShenZhenZhenJiangShengWuJiShu Co Ltd

CAS Number: 1235865-76-5

Hubei Qingbei Yunchen Medicine Technology Co., Ltd.

CAS Number: 1235865-76-5