Ethyl 3-phenylglycidate
TL;DR: Ethyl 3-phenylglycidate (CAS 121-39-1) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-phenyloxirane-2-carboxylate
Also Known As: Ethyl 3-phenylglycidate, Ethyl phenylglycidate, Ethyl 3-phenyloxirane-2-carboxylate, strawberry glycidate 2, ethyl phenyl glycidate
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
| Melting Point | less than 0.0 °C |
| Boiling Point | 509 to 270.0 °C at 760 mmHg |
| Density | 1.122 |
| Solubility | Slightly soluble (1-10 mg/ml) (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
| Refractive Index | 1.5190-1.5230 (1.516-1.521) AT 20 °C |
Chemical Identifiers
| CAS Number | 121-39-1 |
|---|---|
| SMILES | CCOC(=O)C1C(O1)C2=CC=CC=C2 |
| InChIKey | GOMAKLPNAAZVCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-phenylglycidate (CAS 121-39-1), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: ethyl 3-phenyloxirane-2-carboxylate.
Chemical Property Profile of Ethyl 3-phenylglycidate
Property Insights of Ethyl 3-phenylglycidate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-phenylglycidate. With a topological polar surface area (TPSA) of 38.8 Ų, Ethyl 3-phenylglycidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-phenylglycidate 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 Ethyl 3-phenylglycidate?
The CAS number of Ethyl 3-phenylglycidate is 121-39-1.
What is the molecular formula of Ethyl 3-phenylglycidate?
The molecular formula of Ethyl 3-phenylglycidate is C11H12O3.
What is the molecular weight of Ethyl 3-phenylglycidate?
The molecular weight of Ethyl 3-phenylglycidate is 192.08 g/mol.
Where can I buy Ethyl 3-phenylglycidate?
You can request a quote for Ethyl 3-phenylglycidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-phenylglycidate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-phenylglycidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.