1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride
TL;DR: 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride (CAS 116736-24-4) is a chemical compound with molecular formula C28H30BrClN2O4S and molecular weight 604.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-(4-methoxyphenyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate;hydrochloride
Also Known As: 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride, ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-(4-methoxyphenyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrochloride, Ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-(4-methoxyphenyl)-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate--hydrogen chloride (1/1), RefChem:239110
| Molecular Formula | C28H30BrClN2O4S |
|---|---|
| Molecular Weight | 604.08 g/mol |
| LogP | 7.0596 |
| Topological Polar Surface Area | 63.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 604.07983 |
| Heavy Atoms | 37 |
| Complexity | 1375.2087 |
Chemical Identifiers
| CAS Number | 116736-24-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3=CC=C(C=C3)OC)CSC4=CC=CC=C4.Cl |
Product Overview
1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride (CAS 116736-24-4), with molecular formula C28H30BrClN2O4S and molecular weight 604.08 g/mol. IUPAC: ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-(4-methoxyphenyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate;hydrochloride.
Chemical Property Profile of 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride
Property Insights of 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride
The XLogP value of 7.0596 indicates that 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride has 1 hydrogen bond donor(s) and 6 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-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride?
The CAS number of 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride is 116736-24-4.
What is the molecular formula of 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride?
The molecular formula of 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride is C28H30BrClN2O4S.
What is the molecular weight of 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride?
The molecular weight of 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride is 604.08 g/mol.
Where can I buy 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride?
You can request a quote for 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-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-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methoxyphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.