1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester
TL;DR: 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester (CAS 80360-15-2) is a chemical compound with molecular formula C17H15NO4S and molecular weight 329.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(benzenesulfonyl)indole-3-carboxylate
Also Known As: ethyl 1-(benzenesulfonyl)indole-3-carboxylate, 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester, ethyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate, J2.729.100G, 1h-indole-3-carboxylic acid,1-(phenylsulfonyl)-,ethyl ester
| Molecular Formula | C17H15NO4S |
|---|---|
| Molecular Weight | 329.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.07217 |
| Heavy Atoms | 23 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 80360-15-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3 |
| InChIKey | OXYQSCWGVLKSEB-UHFFFAOYSA-N |
Product Overview
1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester (CAS 80360-15-2), with molecular formula C17H15NO4S and molecular weight 329.07 g/mol. IUPAC: ethyl 1-(benzenesulfonyl)indole-3-carboxylate.
Chemical Property Profile of 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester
Property Insights of 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester
The XLogP value of 3.4 indicates that 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester. Following Lipinski's Rule of Five, 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester has 0 hydrogen bond donor(s) and 4 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-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester?
The CAS number of 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester is 80360-15-2.
What is the molecular formula of 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester?
The molecular formula of 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester is C17H15NO4S.
What is the molecular weight of 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester?
The molecular weight of 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester is 329.07 g/mol.
Where can I buy 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester?
You can request a quote for 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, 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-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.