2-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate
TL;DR: 2-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate (CAS 311790-46-2) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 2-hydroxy-3-methylbenzoate
Also Known As: 2-oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate, phenacyl 2-hydroxy-3-methylbenzoate, BAS 00722594, 2-Hydroxy-3-methyl-benzoic acid 2-oxo-2-phenyl-ethyl ester, A1669/0071158
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 311790-46-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)OCC(=O)C2=CC=CC=C2)O |
| InChIKey | AAZHRLDOTWPSNN-UHFFFAOYSA-N |
Product Overview
2-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate (CAS 311790-46-2), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: phenacyl 2-hydroxy-3-methylbenzoate.
Chemical Property Profile of 2-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate
Property Insights of 2-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate
The XLogP value of 3.7 indicates that 2-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate. Following Lipinski's Rule of Five, 2-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate has 1 hydrogen bond donor(s) and 4 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-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate?
The CAS number of 2-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate is 311790-46-2.
What is the molecular formula of 2-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate?
The molecular formula of 2-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate is C16H14O4.
What is the molecular weight of 2-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate?
The molecular weight of 2-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate is 270.09 g/mol.
Where can I buy 2-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate?
You can request a quote for 2-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-phenylethyl 2-hydroxy-3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.