3-Chlorocatechol
TL;DR: 3-Chlorocatechol (CAS 4018-65-9) is a chemical compound with molecular formula C6H5ClO2 and molecular weight 144.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorobenzene-1,2-diol
Also Known As: 3-chlorobenzene-1,2-diol, 3-CHLOROCATECHOL, 3-Chloropyrocatechol, chloropyrocatechol, CHLOROCATECHOL
| Molecular Formula | C6H5ClO2 |
|---|---|
| Molecular Weight | 144.00 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.9978 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 4018-65-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)O)O |
| InChIKey | GQKDZDYQXPOXEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chlorocatechol (CAS 4018-65-9), with molecular formula C6H5ClO2 and molecular weight 144.00 g/mol. IUPAC: 3-chlorobenzene-1,2-diol.
Chemical Property Profile of 3-Chlorocatechol
Property Insights of 3-Chlorocatechol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorocatechol. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Chlorocatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorocatechol has 2 hydrogen bond donor(s) and 2 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-Chlorocatechol?
The CAS number of 3-Chlorocatechol is 4018-65-9.
What is the molecular formula of 3-Chlorocatechol?
The molecular formula of 3-Chlorocatechol is C6H5ClO2.
What is the molecular weight of 3-Chlorocatechol?
The molecular weight of 3-Chlorocatechol is 144.00 g/mol.
Where can I buy 3-Chlorocatechol?
You can request a quote for 3-Chlorocatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorocatechol?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorocatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.