3-(3,4-Dimethoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid
TL;DR: 3-(3,4-Dimethoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid (CAS 896598-19-9) is a chemical compound with molecular formula C17H16N2O6S and molecular weight 376.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dimethoxyphenyl)sulfonylamino]-1H-indole-2-carboxylic acid
Also Known As: 3-(3,4-dimethoxyphenylsulfonamido)-1H-indole-2-carboxylic acid, 3-(3,4-Dimethoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid, 3-[(3,4-dimethoxyphenyl)sulfonylamino]-1H-indole-2-carboxylic acid, 3-{[(3,4-dimethoxyphenyl)sulfonyl]amino}-1H-indole-2-carboxylic acid
| Molecular Formula | C17H16N2O6S |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | 2.6841 |
| Topological Polar Surface Area | 117.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.0729 |
| Heavy Atoms | 26 |
| Complexity | 1087.8262 |
Chemical Identifiers
| CAS Number | 896598-19-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(NC3=CC=CC=C32)C(=O)O)OC |
Product Overview
3-(3,4-Dimethoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid (CAS 896598-19-9), with molecular formula C17H16N2O6S and molecular weight 376.07 g/mol. IUPAC: 3-[(3,4-dimethoxyphenyl)sulfonylamino]-1H-indole-2-carboxylic acid.
Chemical Property Profile of 3-(3,4-Dimethoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid
Property Insights of 3-(3,4-Dimethoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid
The XLogP value of 2.6841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid. The TPSA of 117.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dimethoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxy-benzenesulfonylamino)-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-(3,4-Dimethoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid?
The CAS number of 3-(3,4-Dimethoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid is 896598-19-9.
What is the molecular formula of 3-(3,4-Dimethoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid?
The molecular formula of 3-(3,4-Dimethoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid is C17H16N2O6S.
What is the molecular weight of 3-(3,4-Dimethoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid?
The molecular weight of 3-(3,4-Dimethoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid is 376.07 g/mol.
Where can I buy 3-(3,4-Dimethoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid?
You can request a quote for 3-(3,4-Dimethoxy-benzenesulfonylamino)-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-(3,4-Dimethoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxy-benzenesulfonylamino)-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.