2-Methylbenzoic acid phenacyl ester
TL;DR: 2-Methylbenzoic acid phenacyl ester (CAS 55153-21-4) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 2-methylbenzoate
Also Known As: phenacyl 2-methylbenzoate, 2-Methylbenzoic acid phenacyl ester, 2-Oxo-2-phenylethyl 2-methylbenzoate, 2-Oxo-2-phenylethyl 2-methylbenzoate #, Benzoic acid, 2-methyl-, 2-oxo-2-phenylethyl ester
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 55153-21-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OCC(=O)C2=CC=CC=C2 |
| InChIKey | QNAXZOVZVRXMQD-UHFFFAOYSA-N |
Product Overview
2-Methylbenzoic acid phenacyl ester (CAS 55153-21-4), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: phenacyl 2-methylbenzoate.
Chemical Property Profile of 2-Methylbenzoic acid phenacyl ester
Property Insights of 2-Methylbenzoic acid phenacyl ester
The XLogP value of 4.2 indicates that 2-Methylbenzoic acid phenacyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Methylbenzoic acid phenacyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbenzoic acid phenacyl ester has 0 hydrogen bond donor(s) and 3 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 2-Methylbenzoic acid phenacyl ester?
The CAS number of 2-Methylbenzoic acid phenacyl ester is 55153-21-4.
What is the molecular formula of 2-Methylbenzoic acid phenacyl ester?
The molecular formula of 2-Methylbenzoic acid phenacyl ester is C16H14O3.
What is the molecular weight of 2-Methylbenzoic acid phenacyl ester?
The molecular weight of 2-Methylbenzoic acid phenacyl ester is 254.09 g/mol.
Where can I buy 2-Methylbenzoic acid phenacyl ester?
You can request a quote for 2-Methylbenzoic acid phenacyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbenzoic acid phenacyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbenzoic acid phenacyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.