Benzoic acid, 2-chloro-5-(chlorosulfonyl)-
TL;DR: Benzoic acid, 2-chloro-5-(chlorosulfonyl)- (CAS 137-64-4) is a chemical compound with molecular formula C7H4Cl2O4S and molecular weight 253.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-chlorosulfonylbenzoic acid
Also Known As: 2-Chloro-5-(chlorosulfonyl)benzoic acid, 2-chloro-5-chlorosulfonylbenzoic acid, Benzoic acid, 2-chloro-5-(chlorosulfonyl)-, 2-chloro-5-chlorosulfonyl-benzoic acid, 2-Chloro-5-(chlorosulfonyl)benzoicacid
| Molecular Formula | C7H4Cl2O4S |
|---|---|
| Molecular Weight | 253.92 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.92073 |
| Heavy Atoms | 14 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 137-64-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)Cl)C(=O)O)Cl |
| InChIKey | CLHNTBSDCJLCKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-chloro-5-(chlorosulfonyl)- (CAS 137-64-4), with molecular formula C7H4Cl2O4S and molecular weight 253.92 g/mol. IUPAC: 2-chloro-5-chlorosulfonylbenzoic acid.
Chemical Property Profile of Benzoic acid, 2-chloro-5-(chlorosulfonyl)-
Property Insights of Benzoic acid, 2-chloro-5-(chlorosulfonyl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-chloro-5-(chlorosulfonyl)-. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-chloro-5-(chlorosulfonyl)-. Following Lipinski's Rule of Five, Benzoic acid, 2-chloro-5-(chlorosulfonyl)- has 1 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 Benzoic acid, 2-chloro-5-(chlorosulfonyl)-?
The CAS number of Benzoic acid, 2-chloro-5-(chlorosulfonyl)- is 137-64-4.
What is the molecular formula of Benzoic acid, 2-chloro-5-(chlorosulfonyl)-?
The molecular formula of Benzoic acid, 2-chloro-5-(chlorosulfonyl)- is C7H4Cl2O4S.
What is the molecular weight of Benzoic acid, 2-chloro-5-(chlorosulfonyl)-?
The molecular weight of Benzoic acid, 2-chloro-5-(chlorosulfonyl)- is 253.92 g/mol.
Where can I buy Benzoic acid, 2-chloro-5-(chlorosulfonyl)-?
You can request a quote for Benzoic acid, 2-chloro-5-(chlorosulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-chloro-5-(chlorosulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-chloro-5-(chlorosulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.