1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride
TL;DR: 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride (CAS 116736-25-5) is a chemical compound with molecular formula C27H27Br2ClN2O3S and molecular weight 651.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-1-(4-bromophenyl)-4-[(dimethylamino)methyl]-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate;hydrochloride
Also Known As: 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride, ethyl 6-bromo-1-(4-bromophenyl)-4-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrochloride, Ethyl 6-bromo-1-(4-bromophenyl)-4-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate--hydrogen chloride (1/1), RefChem:239107
| Molecular Formula | C27H27Br2ClN2O3S |
|---|---|
| Molecular Weight | 651.98 g/mol |
| LogP | 7.8135 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 651.9798 |
| Heavy Atoms | 36 |
| Complexity | 1359.7042 |
Chemical Identifiers
| CAS Number | 116736-25-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3=CC=C(C=C3)Br)CSC4=CC=CC=C4.Cl |
Product Overview
1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride (CAS 116736-25-5), with molecular formula C27H27Br2ClN2O3S and molecular weight 651.98 g/mol. IUPAC: ethyl 6-bromo-1-(4-bromophenyl)-4-[(dimethylamino)methyl]-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate;hydrochloride.
Chemical Property Profile of 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride
Property Insights of 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride
The XLogP value of 7.8135 indicates that 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride?
The CAS number of 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride is 116736-25-5.
What is the molecular formula of 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride?
The molecular formula of 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride is C27H27Br2ClN2O3S.
What is the molecular weight of 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride?
The molecular weight of 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride is 651.98 g/mol.
Where can I buy 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride?
You can request a quote for 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-carboxylic acid, 6-bromo-1-(4-bromophenyl)-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.