Toluene-2,4,5-triol, triacetate
TL;DR: Toluene-2,4,5-triol, triacetate (CAS 5462-27-1) is a chemical compound with molecular formula C13H14O6 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5-diacetyloxy-2-methylphenyl) acetate
Also Known As: Toluene-2,4,5-triol, triacetate, 2,4,5-Triacetoxytoluene, Toluene-2,4,5-triol,triacetate, 1,2,4-Triacetoxy-5-methylbenzene, (4,5-diacetyloxy-2-methylphenyl) acetate
| Molecular Formula | C13H14O6 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.07904 |
| Heavy Atoms | 19 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 5462-27-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | QISCBMGXIGQAFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Toluene-2,4,5-triol, triacetate (CAS 5462-27-1), with molecular formula C13H14O6 and molecular weight 266.08 g/mol. IUPAC: (4,5-diacetyloxy-2-methylphenyl) acetate.
Chemical Property Profile of Toluene-2,4,5-triol, triacetate
Property Insights of Toluene-2,4,5-triol, triacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Toluene-2,4,5-triol, triacetate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Toluene-2,4,5-triol, triacetate. Following Lipinski's Rule of Five, Toluene-2,4,5-triol, triacetate 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 Toluene-2,4,5-triol, triacetate?
The CAS number of Toluene-2,4,5-triol, triacetate is 5462-27-1.
What is the molecular formula of Toluene-2,4,5-triol, triacetate?
The molecular formula of Toluene-2,4,5-triol, triacetate is C13H14O6.
What is the molecular weight of Toluene-2,4,5-triol, triacetate?
The molecular weight of Toluene-2,4,5-triol, triacetate is 266.08 g/mol.
Where can I buy Toluene-2,4,5-triol, triacetate?
You can request a quote for Toluene-2,4,5-triol, triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toluene-2,4,5-triol, triacetate?
Yes, KEHONG BIO provides custom synthesis services for Toluene-2,4,5-triol, triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.