Phenyl 3-methylbenzoate
TL;DR: Phenyl 3-methylbenzoate (CAS 41998-14-5) 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 3-methylbenzoate
Also Known As: Phenyl 3-methylbenzoate, m-Toluic acid, phenyl ester, Phenyl 3-methylbenzoate #, 3-Methylbenzoic acid phenyl ester, 3-Methyl-benzoic acid phenyl ester
| Molecular Formula | C14H12O2 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 4.0 |
| 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 | 41998-14-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OC2=CC=CC=C2 |
| InChIKey | YFLYQBATJQHBPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl 3-methylbenzoate (CAS 41998-14-5), with molecular formula C14H12O2 and molecular weight 212.08 g/mol. IUPAC: phenyl 3-methylbenzoate.
Chemical Property Profile of Phenyl 3-methylbenzoate
Property Insights of Phenyl 3-methylbenzoate
The XLogP value of 4.0 indicates that Phenyl 3-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 3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 3-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 3-methylbenzoate?
The CAS number of Phenyl 3-methylbenzoate is 41998-14-5.
What is the molecular formula of Phenyl 3-methylbenzoate?
The molecular formula of Phenyl 3-methylbenzoate is C14H12O2.
What is the molecular weight of Phenyl 3-methylbenzoate?
The molecular weight of Phenyl 3-methylbenzoate is 212.08 g/mol.
Where can I buy Phenyl 3-methylbenzoate?
You can request a quote for Phenyl 3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.