Phenyl 2-methylbenzoate
TL;DR: Phenyl 2-methylbenzoate (CAS 15813-38-4) is a chemical compound with molecular formula C14H12O2 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-methylbenzoate
Also Known As: Phenyl 2-methylbenzoate, phenyl o-toluate, o-Toluic acid, phenyl ester, o-Toluic acid,phenyl ester, Phenyl 2-methylbenzoate #
| Molecular Formula | C14H12O2 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.08372 |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 15813-38-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OC2=CC=CC=C2 |
| InChIKey | MLBAJOWFHHXRJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl 2-methylbenzoate (CAS 15813-38-4), with molecular formula C14H12O2 and molecular weight 212.08 g/mol. IUPAC: phenyl 2-methylbenzoate.
Chemical Property Profile of Phenyl 2-methylbenzoate
Property Insights of Phenyl 2-methylbenzoate
The XLogP value of 4.3 indicates that Phenyl 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, Phenyl 2-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 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 Phenyl 2-methylbenzoate?
The CAS number of Phenyl 2-methylbenzoate is 15813-38-4.
What is the molecular formula of Phenyl 2-methylbenzoate?
The molecular formula of Phenyl 2-methylbenzoate is C14H12O2.
What is the molecular weight of Phenyl 2-methylbenzoate?
The molecular weight of Phenyl 2-methylbenzoate is 212.08 g/mol.
Where can I buy Phenyl 2-methylbenzoate?
You can request a quote for Phenyl 2-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.