1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester
TL;DR: 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester (CAS 148473-24-9) is a chemical compound with molecular formula C16H12ClNO2S and molecular weight 317.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-3-phenylsulfanyl-1H-indole-2-carboxylate
Also Known As: 5Cl3PhS-2IndolCOOMe, 5Cl3PhS-2IndolCONH2 inhibitor 9b, methyl 5-chloro-3-phenylsulfanyl-1H-indole-2-carboxylate, 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester, methyl 5-chloro-3-(phenylsulfanyl)-1H-indole-2-carboxylate
| Molecular Formula | C16H12ClNO2S |
|---|---|
| Molecular Weight | 317.03 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.02774 |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 148473-24-9 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)SC3=CC=CC=C3 |
| InChIKey | KTNJDRXZRDQUKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester (CAS 148473-24-9), with molecular formula C16H12ClNO2S and molecular weight 317.03 g/mol. IUPAC: methyl 5-chloro-3-phenylsulfanyl-1H-indole-2-carboxylate.
Chemical Property Profile of 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester
Property Insights of 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester
The XLogP value of 4.9 indicates that 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester. Following Lipinski's Rule of Five, 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester?
The CAS number of 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester is 148473-24-9.
What is the molecular formula of 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester?
The molecular formula of 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester is C16H12ClNO2S.
What is the molecular weight of 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester?
The molecular weight of 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester is 317.03 g/mol.
Where can I buy 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester?
You can request a quote for 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.