1,2,4-Triacetoxybenzene
TL;DR: 1,2,4-Triacetoxybenzene (CAS 613-03-6) is a chemical compound with molecular formula C12H12O6 and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-diacetyloxyphenyl) acetate
Also Known As: 1,2,4-Triacetoxybenzene, Benzene-1,2,4-triyl triacetate, Pyrogallol A, 1,2,4-Benzenetriacetate, Hydroxyhydroquinone triacetate
| Molecular Formula | C12H12O6 |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.06339 |
| Heavy Atoms | 18 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 613-03-6 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1)OC(=O)C)OC(=O)C |
| InChIKey | AESFGSJWSUZRGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Triacetoxybenzene (CAS 613-03-6), with molecular formula C12H12O6 and molecular weight 252.06 g/mol. IUPAC: (3,4-diacetyloxyphenyl) acetate.
Chemical Property Profile of 1,2,4-Triacetoxybenzene
Property Insights of 1,2,4-Triacetoxybenzene
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triacetoxybenzene. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triacetoxybenzene. Following Lipinski's Rule of Five, 1,2,4-Triacetoxybenzene has 0 hydrogen bond donor(s) and 6 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 1,2,4-Triacetoxybenzene?
The CAS number of 1,2,4-Triacetoxybenzene is 613-03-6.
What is the molecular formula of 1,2,4-Triacetoxybenzene?
The molecular formula of 1,2,4-Triacetoxybenzene is C12H12O6.
What is the molecular weight of 1,2,4-Triacetoxybenzene?
The molecular weight of 1,2,4-Triacetoxybenzene is 252.06 g/mol.
Where can I buy 1,2,4-Triacetoxybenzene?
You can request a quote for 1,2,4-Triacetoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triacetoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triacetoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.