4-Chloronaphthalene-1-sulfonic acid
TL;DR: 4-Chloronaphthalene-1-sulfonic acid (CAS 71116-57-9) is a chemical compound with molecular formula C10H7ClO3S and molecular weight 241.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloronaphthalene-1-sulfonic acid
Also Known As: 4-chloronaphthalene-1-sulfonic acid, 4-Chloro-1-naphthalenesulfonic acid, 1-Naphthalenesulfonicacid, 4-chloro-, J1.346.954G
| Molecular Formula | C10H7ClO3S |
|---|---|
| Molecular Weight | 241.98 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.98044 |
| Heavy Atoms | 15 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 71116-57-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2Cl)S(=O)(=O)O |
| InChIKey | ASYHDOGSKLDKOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloronaphthalene-1-sulfonic acid (CAS 71116-57-9), with molecular formula C10H7ClO3S and molecular weight 241.98 g/mol. IUPAC: 4-chloronaphthalene-1-sulfonic acid.
Chemical Property Profile of 4-Chloronaphthalene-1-sulfonic acid
Property Insights of 4-Chloronaphthalene-1-sulfonic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloronaphthalene-1-sulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloronaphthalene-1-sulfonic acid. Following Lipinski's Rule of Five, 4-Chloronaphthalene-1-sulfonic 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 4-Chloronaphthalene-1-sulfonic acid?
The CAS number of 4-Chloronaphthalene-1-sulfonic acid is 71116-57-9.
What is the molecular formula of 4-Chloronaphthalene-1-sulfonic acid?
The molecular formula of 4-Chloronaphthalene-1-sulfonic acid is C10H7ClO3S.
What is the molecular weight of 4-Chloronaphthalene-1-sulfonic acid?
The molecular weight of 4-Chloronaphthalene-1-sulfonic acid is 241.98 g/mol.
Where can I buy 4-Chloronaphthalene-1-sulfonic acid?
You can request a quote for 4-Chloronaphthalene-1-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloronaphthalene-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloronaphthalene-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.