4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid
TL;DR: 4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid (CAS 22892-95-1) is a chemical compound with molecular formula C7H3Cl2NO6S and molecular weight 298.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-chlorosulfonyl-5-nitrobenzoic acid
Also Known As: 4-chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid, Bumetanide Impurity 9, 4-Chloro-3-chlorosulfonyl-5-nitrobenzoic acid, 4-Chloro-5-chlorosulphonyl-3-nitrobenzoic acid, Bumetanide Impurity 32
| Molecular Formula | C7H3Cl2NO6S |
|---|---|
| Molecular Weight | 298.91 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.90582 |
| Heavy Atoms | 17 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 22892-95-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)S(=O)(=O)Cl)C(=O)O |
| InChIKey | AFRAGFLBINOHDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid (CAS 22892-95-1), with molecular formula C7H3Cl2NO6S and molecular weight 298.91 g/mol. IUPAC: 4-chloro-3-chlorosulfonyl-5-nitrobenzoic acid.
Chemical Property Profile of 4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid
Property Insights of 4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid has 1 hydrogen bond donor(s) and 6 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 4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid?
The CAS number of 4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid is 22892-95-1.
What is the molecular formula of 4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid?
The molecular formula of 4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid is C7H3Cl2NO6S.
What is the molecular weight of 4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid?
The molecular weight of 4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid is 298.91 g/mol.
Where can I buy 4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid?
You can request a quote for 4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.