ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate
TL;DR: ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate (CAS 172421-76-0) is a chemical compound with molecular formula C21H22BrNO3S and molecular weight 447.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-2-[(4-ethylphenyl)sulfanylmethyl]-5-hydroxy-1-methylindole-3-carboxylate
Also Known As: ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate, Ethyl 6-bromo-2-[(4-ethylphenyl)sulfanylmethyl]-5-hydroxy-1-methyl-indole-3-carboxylate, ethyl 6-bromo-2-[(4-ethylphenyl)sulfanylmethyl]-5-hydroxy-1-methylindole-3-carboxylate, ethyl 6-bromo-2-{[(4-ethylphenyl)sulfanyl]methyl}-5-hydroxy-1-methyl-1H-indole-3-carboxylate
| Molecular Formula | C21H22BrNO3S |
|---|---|
| Molecular Weight | 447.05 g/mol |
| LogP | 5.6778 |
| Topological Polar Surface Area | 51.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.05038 |
| Heavy Atoms | 27 |
| Complexity | 979.49567 |
Chemical Identifiers
| CAS Number | 172421-76-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)SCC2=C(C3=CC(=C(C=C3N2C)Br)O)C(=O)OCC |
Product Overview
ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate (CAS 172421-76-0), with molecular formula C21H22BrNO3S and molecular weight 447.05 g/mol. IUPAC: ethyl 6-bromo-2-[(4-ethylphenyl)sulfanylmethyl]-5-hydroxy-1-methylindole-3-carboxylate.
Chemical Property Profile of ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate
Property Insights of ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate
The XLogP value of 5.6778 indicates that ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.46 Ų, ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate?
The CAS number of ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate is 172421-76-0.
What is the molecular formula of ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate?
The molecular formula of ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate is C21H22BrNO3S.
What is the molecular weight of ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate?
The molecular weight of ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate is 447.05 g/mol.
Where can I buy ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate?
You can request a quote for ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-bromo-2-(((4-ethylphenyl)thio)methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.