3-Chloro-5-(chlorosulfonyl)benzoic acid
TL;DR: 3-Chloro-5-(chlorosulfonyl)benzoic acid (CAS 53553-11-0) 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.
3-chloro-5-chlorosulfonylbenzoic acid
Also Known As: 3-Chloro-5-(chlorosulfonyl)benzoic acid, 3-chloro-5-chlorosulfonylbenzoic acid, 3-chloro-5-chlorosulfonyl-benzoic Acid, ACN-P000617, 3-Chloro-5-(chlorosulfonyl)benzoicacid
| Molecular Formula | C7H4Cl2O4S |
|---|---|
| Molecular Weight | 253.92 g/mol |
| LogP | 1.9657 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.92073 |
| Heavy Atoms | 14 |
| Complexity | 480.4632 |
Chemical Identifiers
| CAS Number | 53553-11-0 |
|---|---|
| SMILES | C1=C(C=C(C=C1S(=O)(=O)Cl)Cl)C(=O)O |
Product Overview
3-Chloro-5-(chlorosulfonyl)benzoic acid (CAS 53553-11-0), with molecular formula C7H4Cl2O4S and molecular weight 253.92 g/mol. IUPAC: 3-chloro-5-chlorosulfonylbenzoic acid.
Chemical Property Profile of 3-Chloro-5-(chlorosulfonyl)benzoic acid
Property Insights of 3-Chloro-5-(chlorosulfonyl)benzoic acid
The XLogP value of 1.9657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-5-(chlorosulfonyl)benzoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-5-(chlorosulfonyl)benzoic acid. Following Lipinski's Rule of Five, 3-Chloro-5-(chlorosulfonyl)benzoic acid has 1 hydrogen bond donor(s) and 3 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-Chloro-5-(chlorosulfonyl)benzoic acid?
The CAS number of 3-Chloro-5-(chlorosulfonyl)benzoic acid is 53553-11-0.
What is the molecular formula of 3-Chloro-5-(chlorosulfonyl)benzoic acid?
The molecular formula of 3-Chloro-5-(chlorosulfonyl)benzoic acid is C7H4Cl2O4S.
What is the molecular weight of 3-Chloro-5-(chlorosulfonyl)benzoic acid?
The molecular weight of 3-Chloro-5-(chlorosulfonyl)benzoic acid is 253.92 g/mol.
Where can I buy 3-Chloro-5-(chlorosulfonyl)benzoic acid?
You can request a quote for 3-Chloro-5-(chlorosulfonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-5-(chlorosulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-(chlorosulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.