1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester
TL;DR: 1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester (CAS 158561-81-0) is a chemical compound with molecular formula C17H15NO4S and molecular weight 329.07217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(benzenesulfonyl)-1H-indole-2-carboxylate
Also Known As: ethyl 3-(benzenesulfonyl)-1H-indole-2-carboxylate, J1.925.807F, 1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester, ethyl 3-(phenylsulfonyl)-1H-indole-2-carboxylate, 3-(Phenylsulfonyl)-1H-indole-2-carboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C17H15NO4S |
| Molecular Weight | 329.07217 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 84.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.07217 Da |
| Heavy Atoms | 23 |
| Complexity | 521.0 |
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N1)S(=O)(=O)C3=CC=CC=C3 |
| InChIKey | YZXUMFYPHQKYIU-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester
Property Insights of 1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester
The XLogP value of 3.4 indicates that 1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester. Following Lipinski's Rule of Five, 1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester?
The CAS number of 1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester is 158561-81-0.
What is the molecular formula of 1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester?
The molecular formula of 1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester is C17H15NO4S.
What is the molecular weight of 1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester?
The molecular weight of 1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester is 329.07217 g/mol.
Where can I buy 1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester?
You can request a quote for 1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-Indole-2-carboxylic acid, 3-(phenylsulfonyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.