1,2,3,4-Benzenetetrol
TL;DR: 1,2,3,4-Benzenetetrol (CAS 642-96-6) is a chemical compound with molecular formula C6H6O4 and molecular weight 142.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,2,3,4-tetrol
Also Known As: benzene-1,2,3,4-tetrol, trihydroxyphenol, 1,2,3,4-Benzenetetrol, 3,4-dihydroxy-catechol, 1,2,3,4-tetrahydroxybenzene
| Molecular Formula | C6H6O4 |
|---|---|
| Molecular Weight | 142.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.02661 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 642-96-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1O)O)O)O |
| InChIKey | VERMEZLHWFHDLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4-Benzenetetrol (CAS 642-96-6), with molecular formula C6H6O4 and molecular weight 142.03 g/mol. IUPAC: benzene-1,2,3,4-tetrol.
Chemical Property Profile of 1,2,3,4-Benzenetetrol
Property Insights of 1,2,3,4-Benzenetetrol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Benzenetetrol. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4-Benzenetetrol. Following Lipinski's Rule of Five, 1,2,3,4-Benzenetetrol has 4 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 1,2,3,4-Benzenetetrol?
The CAS number of 1,2,3,4-Benzenetetrol is 642-96-6.
What is the molecular formula of 1,2,3,4-Benzenetetrol?
The molecular formula of 1,2,3,4-Benzenetetrol is C6H6O4.
What is the molecular weight of 1,2,3,4-Benzenetetrol?
The molecular weight of 1,2,3,4-Benzenetetrol is 142.03 g/mol.
Where can I buy 1,2,3,4-Benzenetetrol?
You can request a quote for 1,2,3,4-Benzenetetrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Benzenetetrol?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Benzenetetrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.