1H-Indole-2-carboxylic acid, 3-(phenylthio)-, ethyl ester
TL;DR: 1H-Indole-2-carboxylic acid, 3-(phenylthio)-, ethyl ester (CAS 106184-17-2) is a chemical compound with molecular formula C17H15NO2S and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-phenylsulfanyl-1H-indole-2-carboxylate
Also Known As: ethyl 3-phenylsulfanyl-1H-indole-2-carboxylate, 1H-Indole-2-carboxylic acid, 3-(phenylthio)-, ethyl ester, ethyl 3-(phenylthio)-1H-indole-2-carboxylate, J1.969.212D, 3-phenylthio-1h-indole-2-carboxylic acid ethyl ester
| Molecular Formula | C17H15NO2S |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.08234 |
| Heavy Atoms | 21 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 106184-17-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3 |
| InChIKey | QLGKDEPKENNHHT-UHFFFAOYSA-N |
Product Overview
1H-Indole-2-carboxylic acid, 3-(phenylthio)-, ethyl ester (CAS 106184-17-2), with molecular formula C17H15NO2S and molecular weight 297.08 g/mol. IUPAC: ethyl 3-phenylsulfanyl-1H-indole-2-carboxylate.
Chemical Property Profile of 1H-Indole-2-carboxylic acid, 3-(phenylthio)-, ethyl ester
Property Insights of 1H-Indole-2-carboxylic acid, 3-(phenylthio)-, ethyl ester
The XLogP value of 4.7 indicates that 1H-Indole-2-carboxylic acid, 3-(phenylthio)-, ethyl 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, 3-(phenylthio)-, ethyl ester. Following Lipinski's Rule of Five, 1H-Indole-2-carboxylic acid, 3-(phenylthio)-, ethyl 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, 3-(phenylthio)-, ethyl ester?
The CAS number of 1H-Indole-2-carboxylic acid, 3-(phenylthio)-, ethyl ester is 106184-17-2.
What is the molecular formula of 1H-Indole-2-carboxylic acid, 3-(phenylthio)-, ethyl ester?
The molecular formula of 1H-Indole-2-carboxylic acid, 3-(phenylthio)-, ethyl ester is C17H15NO2S.
What is the molecular weight of 1H-Indole-2-carboxylic acid, 3-(phenylthio)-, ethyl ester?
The molecular weight of 1H-Indole-2-carboxylic acid, 3-(phenylthio)-, ethyl ester is 297.08 g/mol.
Where can I buy 1H-Indole-2-carboxylic acid, 3-(phenylthio)-, ethyl ester?
You can request a quote for 1H-Indole-2-carboxylic acid, 3-(phenylthio)-, ethyl 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, 3-(phenylthio)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-2-carboxylic acid, 3-(phenylthio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.