Methyl benzilate
TL;DR: Methyl benzilate (CAS 76-89-1) is a chemical compound with molecular formula C15H14O3 and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-2,2-diphenylacetate
Also Known As: Methyl benzilate, methyl 2-hydroxy-2,2-diphenylacetate, methylbenzilate, Methyl diphenylglycolate, Methyl benzillate
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 76-89-1 |
|---|---|
| SMILES | COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O |
| InChIKey | LJFIHTFNTGQZJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl benzilate (CAS 76-89-1), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: methyl 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of Methyl benzilate
Property Insights of Methyl benzilate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl benzilate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl benzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl benzilate has 1 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 Methyl benzilate?
The CAS number of Methyl benzilate is 76-89-1.
What is the molecular formula of Methyl benzilate?
The molecular formula of Methyl benzilate is C15H14O3.
What is the molecular weight of Methyl benzilate?
The molecular weight of Methyl benzilate is 242.09 g/mol.
Where can I buy Methyl benzilate?
You can request a quote for Methyl benzilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl benzilate?
Yes, KEHONG BIO provides custom synthesis services for Methyl benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.