![3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid structure](/static/products/899/899402-80-3.png)
3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid
TL;DR: 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid (CAS 899402-80-3) is a chemical compound with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylsulfonylamino)-1H-indole-2-carboxylic acid
Also Known As: 3-(benzylsulfonylamino)-1H-indole-2-carboxylic acid, 3-(phenylmethylsulfonamido)-1H-indole-2-carboxylic acid, 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid
| Molecular Formula | C16H14N2O4S |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.0674 |
| Heavy Atoms | 23 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 899402-80-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)NC2=C(NC3=CC=CC=C32)C(=O)O |
| InChIKey | FJKITZUHDWDXNT-UHFFFAOYSA-N |
Product Overview
3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid (CAS 899402-80-3), with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol. IUPAC: 3-(benzylsulfonylamino)-1H-indole-2-carboxylic acid.
Chemical Property Profile of 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid
Property Insights of 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid has 3 hydrogen bond donor(s) and 5 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 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid?
The CAS number of 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid is 899402-80-3.
What is the molecular formula of 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid?
The molecular formula of 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid is C16H14N2O4S.
What is the molecular weight of 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid?
The molecular weight of 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid is 330.07 g/mol.
Where can I buy 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid?
You can request a quote for 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.