Methyl 3-phenyl-2,3-epoxypropanoate
TL;DR: Methyl 3-phenyl-2,3-epoxypropanoate (CAS 19190-80-8) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R,3S)-3-phenyloxirane-2-carboxylate
Also Known As: cis-Methyl epoxycinnamate, trans-Methylepoxycinnamate, trans-Methyl epoxycinnamate, trans-methyl 3-phenylglycidate, NIOSH/RR0410000
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 19190-80-8 |
|---|---|
| SMILES | COC(=O)[C@H]1[C@@H](O1)C2=CC=CC=C2 |
| InChIKey | HAFFKTJSQPQAPC-DTWKUNHWSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-phenyl-2,3-epoxypropanoate (CAS 19190-80-8), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: methyl (2R,3S)-3-phenyloxirane-2-carboxylate.
Chemical Property Profile of Methyl 3-phenyl-2,3-epoxypropanoate
Property Insights of Methyl 3-phenyl-2,3-epoxypropanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-phenyl-2,3-epoxypropanoate. With a topological polar surface area (TPSA) of 38.8 Ų, Methyl 3-phenyl-2,3-epoxypropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-phenyl-2,3-epoxypropanoate 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 Methyl 3-phenyl-2,3-epoxypropanoate?
The CAS number of Methyl 3-phenyl-2,3-epoxypropanoate is 19190-80-8.
What is the molecular formula of Methyl 3-phenyl-2,3-epoxypropanoate?
The molecular formula of Methyl 3-phenyl-2,3-epoxypropanoate is C10H10O3.
What is the molecular weight of Methyl 3-phenyl-2,3-epoxypropanoate?
The molecular weight of Methyl 3-phenyl-2,3-epoxypropanoate is 178.06 g/mol.
Where can I buy Methyl 3-phenyl-2,3-epoxypropanoate?
You can request a quote for Methyl 3-phenyl-2,3-epoxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-phenyl-2,3-epoxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-phenyl-2,3-epoxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.