4-Hydroxy-2,3,6-trimethylphenyl acetate
TL;DR: 4-Hydroxy-2,3,6-trimethylphenyl acetate (CAS 36592-62-8) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxy-2,3,6-trimethylphenyl) acetate
Also Known As: 4-Hydroxy-2,3,6-trimethylphenyl acetate, 4-Acetoxy-2,3,5-trimethylphenol, (4-hydroxy-2,3,6-trimethylphenyl) acetate, Trimethylhydroquinone 1-monoacetate, 4-acetoxy-2,3,5-trimethyl phenol
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 36592-62-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1OC(=O)C)C)C)O |
| InChIKey | JFNARRJEBQBMJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-2,3,6-trimethylphenyl acetate (CAS 36592-62-8), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: (4-hydroxy-2,3,6-trimethylphenyl) acetate.
Chemical Property Profile of 4-Hydroxy-2,3,6-trimethylphenyl acetate
Property Insights of 4-Hydroxy-2,3,6-trimethylphenyl acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-2,3,6-trimethylphenyl acetate. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Hydroxy-2,3,6-trimethylphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-2,3,6-trimethylphenyl acetate has 1 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-Hydroxy-2,3,6-trimethylphenyl acetate?
The CAS number of 4-Hydroxy-2,3,6-trimethylphenyl acetate is 36592-62-8.
What is the molecular formula of 4-Hydroxy-2,3,6-trimethylphenyl acetate?
The molecular formula of 4-Hydroxy-2,3,6-trimethylphenyl acetate is C11H14O3.
What is the molecular weight of 4-Hydroxy-2,3,6-trimethylphenyl acetate?
The molecular weight of 4-Hydroxy-2,3,6-trimethylphenyl acetate is 194.09 g/mol.
Where can I buy 4-Hydroxy-2,3,6-trimethylphenyl acetate?
You can request a quote for 4-Hydroxy-2,3,6-trimethylphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2,3,6-trimethylphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2,3,6-trimethylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.