Benzoic acid, 4-((chloromethyl)sulfonyl)-
TL;DR: Benzoic acid, 4-((chloromethyl)sulfonyl)- (CAS 101349-84-2) is a chemical compound with molecular formula C8H7ClO4S and molecular weight 233.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethylsulfonyl)benzoic acid
Also Known As: 4-(chloromethylsulfonyl)benzoic Acid, Benzoic acid, 4-((chloromethyl)sulfonyl)-, 4-(Chloromethanesulfonyl)benzoic acid, 4-[(chloromethyl)sulfonyl]benzoic acid, 4-CHLOROMETHANESULFONYLBENZOIC ACID
| Molecular Formula | C8H7ClO4S |
|---|---|
| Molecular Weight | 233.98 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.97536 |
| Heavy Atoms | 14 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 101349-84-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)S(=O)(=O)CCl |
| InChIKey | RYVDYHYNYPZIBD-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-((chloromethyl)sulfonyl)- (CAS 101349-84-2), with molecular formula C8H7ClO4S and molecular weight 233.98 g/mol. IUPAC: 4-(chloromethylsulfonyl)benzoic acid.
Chemical Property Profile of Benzoic acid, 4-((chloromethyl)sulfonyl)-
Property Insights of Benzoic acid, 4-((chloromethyl)sulfonyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-((chloromethyl)sulfonyl)-. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((chloromethyl)sulfonyl)-. Following Lipinski's Rule of Five, Benzoic acid, 4-((chloromethyl)sulfonyl)- 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, 4-((chloromethyl)sulfonyl)-?
The CAS number of Benzoic acid, 4-((chloromethyl)sulfonyl)- is 101349-84-2.
What is the molecular formula of Benzoic acid, 4-((chloromethyl)sulfonyl)-?
The molecular formula of Benzoic acid, 4-((chloromethyl)sulfonyl)- is C8H7ClO4S.
What is the molecular weight of Benzoic acid, 4-((chloromethyl)sulfonyl)-?
The molecular weight of Benzoic acid, 4-((chloromethyl)sulfonyl)- is 233.98 g/mol.
Where can I buy Benzoic acid, 4-((chloromethyl)sulfonyl)-?
You can request a quote for Benzoic acid, 4-((chloromethyl)sulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-((chloromethyl)sulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((chloromethyl)sulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.