3-Chloro-4-methoxybenzenesulfonic acid
TL;DR: 3-Chloro-4-methoxybenzenesulfonic acid (CAS 118795-71-4) is a chemical compound with molecular formula C7H7ClO4S and molecular weight 221.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-methoxybenzenesulfonic acid
Also Known As: 3-chloro-4-methoxybenzenesulfonic acid, 3-chloro-4-methoxy-benzenesulfonic Acid, 3-chloro-4-methoxybenzene-1-sulfonic acid
| Molecular Formula | C7H7ClO4S |
|---|---|
| Molecular Weight | 221.98 g/mol |
| LogP | 1.5953 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.97536 |
| Heavy Atoms | 13 |
| Complexity | 412.50076 |
Chemical Identifiers
| CAS Number | 118795-71-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)O)Cl |
Product Overview
3-Chloro-4-methoxybenzenesulfonic acid (CAS 118795-71-4), with molecular formula C7H7ClO4S and molecular weight 221.98 g/mol. IUPAC: 3-chloro-4-methoxybenzenesulfonic acid.
Chemical Property Profile of 3-Chloro-4-methoxybenzenesulfonic acid
Property Insights of 3-Chloro-4-methoxybenzenesulfonic acid
The XLogP value of 1.5953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-methoxybenzenesulfonic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4-methoxybenzenesulfonic acid. Following Lipinski's Rule of Five, 3-Chloro-4-methoxybenzenesulfonic 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-4-methoxybenzenesulfonic acid?
The CAS number of 3-Chloro-4-methoxybenzenesulfonic acid is 118795-71-4.
What is the molecular formula of 3-Chloro-4-methoxybenzenesulfonic acid?
The molecular formula of 3-Chloro-4-methoxybenzenesulfonic acid is C7H7ClO4S.
What is the molecular weight of 3-Chloro-4-methoxybenzenesulfonic acid?
The molecular weight of 3-Chloro-4-methoxybenzenesulfonic acid is 221.98 g/mol.
Where can I buy 3-Chloro-4-methoxybenzenesulfonic acid?
You can request a quote for 3-Chloro-4-methoxybenzenesulfonic 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-methoxybenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-methoxybenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.