Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate
TL;DR: Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate (CAS 116325-17-8) is a chemical compound with molecular formula C16H13NO4S and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(benzenesulfonyl)indole-3-carboxylate
Also Known As: Methyl 1-(benzenesulfonyl)indole-3-carboxylate, methyl 1-(phenylsulfonyl)-1H-indole-3-carboxylate, Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate, 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, methyl ester, Methyl 1-phenylsulfonylindole-3-carboxylate
| Molecular Formula | C16H13NO4S |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 2.6649 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.05652 |
| Heavy Atoms | 22 |
| Complexity | 942.6961 |
Chemical Identifiers
| CAS Number | 116325-17-8 |
|---|---|
| SMILES | COC(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate (CAS 116325-17-8), with molecular formula C16H13NO4S and molecular weight 315.06 g/mol. IUPAC: methyl 1-(benzenesulfonyl)indole-3-carboxylate.
Chemical Property Profile of Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate
Property Insights of Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate
The XLogP value of 2.6649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate. The TPSA of 65.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate. Following Lipinski's Rule of Five, Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate 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 Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate?
The CAS number of Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate is 116325-17-8.
What is the molecular formula of Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate?
The molecular formula of Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate is C16H13NO4S.
What is the molecular weight of Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate?
The molecular weight of Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate is 315.06 g/mol.
Where can I buy Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate?
You can request a quote for Methyl 1-(benzenesulfonyl)-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 Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.