4-Chlorobenzene-1,2,3-triol
TL;DR: 4-Chlorobenzene-1,2,3-triol (CAS 3598-34-3) is a chemical compound with molecular formula C6H5ClO3 and molecular weight 159.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobenzene-1,2,3-triol
Also Known As: chloropyrogallol, 4-chlorobenzene-1,2,3-triol, 1,2,3-Benzenetriol,chloro, 1,2,3-Benzenetriol, chloro-, 4-Chloro-1,2,3-benzenetriol
| Molecular Formula | C6H5ClO3 |
|---|---|
| Molecular Weight | 159.99 g/mol |
| LogP | 1.4568 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.99272 |
| Heavy Atoms | 10 |
| Complexity | 232.415 |
Chemical Identifiers
| CAS Number | 3598-34-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1O)O)O)Cl |
Product Overview
4-Chlorobenzene-1,2,3-triol (CAS 3598-34-3), with molecular formula C6H5ClO3 and molecular weight 159.99 g/mol. IUPAC: 4-chlorobenzene-1,2,3-triol.
Chemical Property Profile of 4-Chlorobenzene-1,2,3-triol
Property Insights of 4-Chlorobenzene-1,2,3-triol
The XLogP value of 1.4568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobenzene-1,2,3-triol. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorobenzene-1,2,3-triol. Following Lipinski's Rule of Five, 4-Chlorobenzene-1,2,3-triol has 3 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-Chlorobenzene-1,2,3-triol?
The CAS number of 4-Chlorobenzene-1,2,3-triol is 3598-34-3.
What is the molecular formula of 4-Chlorobenzene-1,2,3-triol?
The molecular formula of 4-Chlorobenzene-1,2,3-triol is C6H5ClO3.
What is the molecular weight of 4-Chlorobenzene-1,2,3-triol?
The molecular weight of 4-Chlorobenzene-1,2,3-triol is 159.99 g/mol.
Where can I buy 4-Chlorobenzene-1,2,3-triol?
You can request a quote for 4-Chlorobenzene-1,2,3-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzene-1,2,3-triol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzene-1,2,3-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.