4-Chlorometanilic acid
TL;DR: 4-Chlorometanilic acid (CAS 98-36-2) is a chemical compound with molecular formula C6H6ClNO3S and molecular weight 206.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-chlorobenzenesulfonic acid
Also Known As: 3-Amino-4-chlorobenzenesulfonic acid, 2-Chloroaniline-5-sulfonic acid, 4-Chlorometanilic acid, Metanilic acid, 4-chloro-, Benzenesulfonic acid, 3-amino-4-chloro-
| Molecular Formula | C6H6ClNO3S |
|---|---|
| Molecular Weight | 206.98 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.9757 |
| Heavy Atoms | 12 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 98-36-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)O)N)Cl |
| InChIKey | XJQRCFRVWZHIPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorometanilic acid (CAS 98-36-2), with molecular formula C6H6ClNO3S and molecular weight 206.98 g/mol. IUPAC: 3-amino-4-chlorobenzenesulfonic acid.
Chemical Property Profile of 4-Chlorometanilic acid
Property Insights of 4-Chlorometanilic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorometanilic acid. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorometanilic acid. Following Lipinski's Rule of Five, 4-Chlorometanilic acid has 2 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 4-Chlorometanilic acid?
The CAS number of 4-Chlorometanilic acid is 98-36-2.
What is the molecular formula of 4-Chlorometanilic acid?
The molecular formula of 4-Chlorometanilic acid is C6H6ClNO3S.
What is the molecular weight of 4-Chlorometanilic acid?
The molecular weight of 4-Chlorometanilic acid is 206.98 g/mol.
Where can I buy 4-Chlorometanilic acid?
You can request a quote for 4-Chlorometanilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorometanilic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorometanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.