Benzyl 2-methylbenzoate
TL;DR: Benzyl 2-methylbenzoate (CAS 67157-60-2) is a chemical compound with molecular formula C15H14O2 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-methylbenzoate
Also Known As: Benzyl 2-methylbenzoate, Benzyl o-toluate, Benzyl 2-methylbenzoate #, o-Toluic acid, benzyl ester, 2-Methylbenzoic acid benzyl ester
| Molecular Formula | C15H14O2 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.09938 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 67157-60-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OCC2=CC=CC=C2 |
| InChIKey | IRNSYGIUGHROTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 2-methylbenzoate (CAS 67157-60-2), with molecular formula C15H14O2 and molecular weight 226.10 g/mol. IUPAC: benzyl 2-methylbenzoate.
Chemical Property Profile of Benzyl 2-methylbenzoate
Property Insights of Benzyl 2-methylbenzoate
The XLogP value of 4.2 indicates that Benzyl 2-methylbenzoate 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-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-methylbenzoate 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-methylbenzoate?
The CAS number of Benzyl 2-methylbenzoate is 67157-60-2.
What is the molecular formula of Benzyl 2-methylbenzoate?
The molecular formula of Benzyl 2-methylbenzoate is C15H14O2.
What is the molecular weight of Benzyl 2-methylbenzoate?
The molecular weight of Benzyl 2-methylbenzoate is 226.10 g/mol.
Where can I buy Benzyl 2-methylbenzoate?
You can request a quote for Benzyl 2-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.