Thymol acetate
TL;DR: Thymol acetate (CAS 528-79-0) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylphenyl) acetate
Also Known As: Thymol acetate, Thymyl acetate, Acetylthymol, O-Acetylthymol, Thymol, acetate
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 528-79-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC(=O)C |
| InChIKey | WFMIUXMJJBBOGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thymol acetate (CAS 528-79-0), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: (5-methyl-2-propan-2-ylphenyl) acetate.
Chemical Property Profile of Thymol acetate
Property Insights of Thymol acetate
The XLogP value of 3.0 indicates that Thymol acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Thymol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thymol acetate has 0 hydrogen bond donor(s) and 2 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 Thymol acetate?
The CAS number of Thymol acetate is 528-79-0.
What is the molecular formula of Thymol acetate?
The molecular formula of Thymol acetate is C12H16O2.
What is the molecular weight of Thymol acetate?
The molecular weight of Thymol acetate is 192.12 g/mol.
Where can I buy Thymol acetate?
You can request a quote for Thymol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymol acetate?
Yes, KEHONG BIO provides custom synthesis services for Thymol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.