methyl 1-(phenylsulfonyl)-1H-indole-2-carboxylate
TL;DR: methyl 1-(phenylsulfonyl)-1H-indole-2-carboxylate (CAS 60376-48-9) 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-2-carboxylate
Also Known As: methyl 1-(phenylsulfonyl)-1H-indole-2-carboxylate, methyl 1-(benzenesulfonyl)indole-2-carboxylate, methyl 1-(benzenesulfonyl)-1H-indole-2-carboxylate, methyl1-(benzenesulfonyl)-1H-indole-2-carboxylate, 1-(Phenylsulfonyl)1H-indole-2-carboxylic acid methyl ester
| 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 | 60376-48-9 |
|---|---|
| SMILES | COC(=O)C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3 |
Product Overview
methyl 1-(phenylsulfonyl)-1H-indole-2-carboxylate (CAS 60376-48-9), with molecular formula C16H13NO4S and molecular weight 315.06 g/mol. IUPAC: methyl 1-(benzenesulfonyl)indole-2-carboxylate.
Chemical Property Profile of methyl 1-(phenylsulfonyl)-1H-indole-2-carboxylate
Property Insights of methyl 1-(phenylsulfonyl)-1H-indole-2-carboxylate
The XLogP value of 2.6649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-(phenylsulfonyl)-1H-indole-2-carboxylate. The TPSA of 65.37 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(phenylsulfonyl)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 1-(phenylsulfonyl)-1H-indole-2-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-(phenylsulfonyl)-1H-indole-2-carboxylate?
The CAS number of methyl 1-(phenylsulfonyl)-1H-indole-2-carboxylate is 60376-48-9.
What is the molecular formula of methyl 1-(phenylsulfonyl)-1H-indole-2-carboxylate?
The molecular formula of methyl 1-(phenylsulfonyl)-1H-indole-2-carboxylate is C16H13NO4S.
What is the molecular weight of methyl 1-(phenylsulfonyl)-1H-indole-2-carboxylate?
The molecular weight of methyl 1-(phenylsulfonyl)-1H-indole-2-carboxylate is 315.06 g/mol.
Where can I buy methyl 1-(phenylsulfonyl)-1H-indole-2-carboxylate?
You can request a quote for methyl 1-(phenylsulfonyl)-1H-indole-2-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-(phenylsulfonyl)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(phenylsulfonyl)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.