Benzyl (2-methylphenyl)acetate
TL;DR: Benzyl (2-methylphenyl)acetate (CAS 36762-11-5) is a chemical compound with molecular formula C16H16O2 and molecular weight 240.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-(2-methylphenyl)acetate
Also Known As: benzyl(2-methylphenyl)acetate, o-tolyl-2-pyridylmethanone, NCIOpen2_003367, benzyl 2-(2-methylphenyl)acetate, Benzyl (2-methylphenyl)acetate
| Molecular Formula | C16H16O2 |
|---|---|
| Molecular Weight | 240.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.11504 |
| Heavy Atoms | 18 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 36762-11-5 |
|---|---|
| SMILES | CC1=CC=CC=C1CC(=O)OCC2=CC=CC=C2 |
| InChIKey | VTPRGJRKNWJCQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl (2-methylphenyl)acetate (CAS 36762-11-5), with molecular formula C16H16O2 and molecular weight 240.12 g/mol. IUPAC: benzyl 2-(2-methylphenyl)acetate.
Chemical Property Profile of Benzyl (2-methylphenyl)acetate
Property Insights of Benzyl (2-methylphenyl)acetate
The XLogP value of 3.8 indicates that Benzyl (2-methylphenyl)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, Benzyl (2-methylphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl (2-methylphenyl)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 Benzyl (2-methylphenyl)acetate?
The CAS number of Benzyl (2-methylphenyl)acetate is 36762-11-5.
What is the molecular formula of Benzyl (2-methylphenyl)acetate?
The molecular formula of Benzyl (2-methylphenyl)acetate is C16H16O2.
What is the molecular weight of Benzyl (2-methylphenyl)acetate?
The molecular weight of Benzyl (2-methylphenyl)acetate is 240.12 g/mol.
Where can I buy Benzyl (2-methylphenyl)acetate?
You can request a quote for Benzyl (2-methylphenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl (2-methylphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl (2-methylphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.