2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid
TL;DR: 2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid (CAS 68003-38-3) is a chemical compound with molecular formula C13H9ClN2O6S and molecular weight 355.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid
Also Known As: 2-(4-chloro-3-nitrobenzenesulfonamido)benzoic acid, SLC25A1 inhibitor CTPI-2, SLC25A1 inhibitor CTPI-2?, 2-(4-chloro-3-nitro-benzenesulfonylamino)-benzoic acid, Benzoic acid, 2-[[(4-chloro-3-nitrophenyl)sulfonyl]amino]-
| Molecular Formula | C13H9ClN2O6S |
|---|---|
| Molecular Weight | 355.99 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.987 |
| Heavy Atoms | 23 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 68003-38-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | NJTHPOSQGFJTDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid (CAS 68003-38-3), with molecular formula C13H9ClN2O6S and molecular weight 355.99 g/mol. IUPAC: 2-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid.
Chemical Property Profile of 2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid
Property Insights of 2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid
The XLogP value of 3.0 indicates that 2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid. Following Lipinski's Rule of Five, 2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid has 2 hydrogen bond donor(s) and 7 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 2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid?
The CAS number of 2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid is 68003-38-3.
What is the molecular formula of 2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid?
The molecular formula of 2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid is C13H9ClN2O6S.
What is the molecular weight of 2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid?
The molecular weight of 2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid is 355.99 g/mol.
Where can I buy 2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid?
You can request a quote for 2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.