Ethyl mandelate
TL;DR: Ethyl mandelate (CAS 774-40-3) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-hydroxy-2-phenylacetate
Also Known As: ETHYL MANDELATE, Ethyl phenylglycolate, Ethyl dl-mandelate, ethyl 2-hydroxy-2-phenylacetate, (+)-Ethyl Mandelate
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
| Vapor Pressure | 0.00026 [mmHg] |
Chemical Identifiers
| CAS Number | 774-40-3 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)O |
| InChIKey | SAXHIDRUJXPDOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl mandelate (CAS 774-40-3), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: ethyl 2-hydroxy-2-phenylacetate.
Chemical Property Profile of Ethyl mandelate
Property Insights of Ethyl mandelate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl mandelate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl mandelate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl mandelate 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 Ethyl mandelate?
The CAS number of Ethyl mandelate is 774-40-3.
What is the molecular formula of Ethyl mandelate?
The molecular formula of Ethyl mandelate is C10H12O3.
What is the molecular weight of Ethyl mandelate?
The molecular weight of Ethyl mandelate is 180.08 g/mol.
Where can I buy Ethyl mandelate?
You can request a quote for Ethyl mandelate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl mandelate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl mandelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.