3-Chloro-4-methanesulfonyloxybenzoic Acid
TL;DR: 3-Chloro-4-methanesulfonyloxybenzoic Acid (CAS 288151-87-1) is a chemical compound with molecular formula C8H7ClO5S and molecular weight 249.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-methylsulfonyloxybenzoic acid
Also Known As: 3-chloro-4-methylsulfonyloxybenzoic acid, 3-Chloro-4-methanesulfonyloxybenzoic Acid, 3-chloro-4-methylsulfonyloxy-benzoic Acid, 3-chloro-4-(methanesulfonyloxy)benzoic acid, 3-chloro-4-[(methylsulfonyl)oxy]Benzoic acid
| Molecular Formula | C8H7ClO5S |
|---|---|
| Molecular Weight | 249.97 g/mol |
| LogP | 1.3766 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.97028 |
| Heavy Atoms | 15 |
| Complexity | 493.75354 |
Chemical Identifiers
| CAS Number | 288151-87-1 |
|---|---|
| SMILES | CS(=O)(=O)OC1=C(C=C(C=C1)C(=O)O)Cl |
Product Overview
3-Chloro-4-methanesulfonyloxybenzoic Acid (CAS 288151-87-1), with molecular formula C8H7ClO5S and molecular weight 249.97 g/mol. IUPAC: 3-chloro-4-methylsulfonyloxybenzoic acid.
Chemical Property Profile of 3-Chloro-4-methanesulfonyloxybenzoic Acid
Property Insights of 3-Chloro-4-methanesulfonyloxybenzoic Acid
The XLogP value of 1.3766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-methanesulfonyloxybenzoic Acid. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4-methanesulfonyloxybenzoic Acid. Following Lipinski's Rule of Five, 3-Chloro-4-methanesulfonyloxybenzoic Acid 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 3-Chloro-4-methanesulfonyloxybenzoic Acid?
The CAS number of 3-Chloro-4-methanesulfonyloxybenzoic Acid is 288151-87-1.
What is the molecular formula of 3-Chloro-4-methanesulfonyloxybenzoic Acid?
The molecular formula of 3-Chloro-4-methanesulfonyloxybenzoic Acid is C8H7ClO5S.
What is the molecular weight of 3-Chloro-4-methanesulfonyloxybenzoic Acid?
The molecular weight of 3-Chloro-4-methanesulfonyloxybenzoic Acid is 249.97 g/mol.
Where can I buy 3-Chloro-4-methanesulfonyloxybenzoic Acid?
You can request a quote for 3-Chloro-4-methanesulfonyloxybenzoic 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-4-methanesulfonyloxybenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-methanesulfonyloxybenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.