Acetic acid, 2,4,6-trimethylbenzyl ester
TL;DR: Acetic acid, 2,4,6-trimethylbenzyl ester (CAS 63548-92-5) 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.
(2,4,6-trimethylphenyl)methyl acetate
Also Known As: 2,4,6-trimethylbenzyl acetate, (2,4,6-trimethylphenyl)methyl acetate, Acetic acid, 2,4,6-trimethylbenzyl ester, Acetic acid 2,4,6-trimethylbenzyl ester, acetic acid,(2,4,6-trimethylphenyl)methanol
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.7 |
| 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 | 188.0 |
Chemical Identifiers
| CAS Number | 63548-92-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)COC(=O)C)C |
| InChIKey | KKRQFZYXQHIORO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2,4,6-trimethylbenzyl ester (CAS 63548-92-5), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: (2,4,6-trimethylphenyl)methyl acetate.
Chemical Property Profile of Acetic acid, 2,4,6-trimethylbenzyl ester
Property Insights of Acetic acid, 2,4,6-trimethylbenzyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2,4,6-trimethylbenzyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, 2,4,6-trimethylbenzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2,4,6-trimethylbenzyl ester 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 Acetic acid, 2,4,6-trimethylbenzyl ester?
The CAS number of Acetic acid, 2,4,6-trimethylbenzyl ester is 63548-92-5.
What is the molecular formula of Acetic acid, 2,4,6-trimethylbenzyl ester?
The molecular formula of Acetic acid, 2,4,6-trimethylbenzyl ester is C12H16O2.
What is the molecular weight of Acetic acid, 2,4,6-trimethylbenzyl ester?
The molecular weight of Acetic acid, 2,4,6-trimethylbenzyl ester is 192.12 g/mol.
Where can I buy Acetic acid, 2,4,6-trimethylbenzyl ester?
You can request a quote for Acetic acid, 2,4,6-trimethylbenzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2,4,6-trimethylbenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2,4,6-trimethylbenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.