methyl (2S,3S)-3-phenyloxirane-2-carboxylate
TL;DR: methyl (2S,3S)-3-phenyloxirane-2-carboxylate (CAS 115794-66-6) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S,3R)-3-phenyloxirane-2-carboxylate
Also Known As: cis-Methylepoxycinnamate, cis-Methyl epoxycinnamate, cis-(2S,3S)Methylepoxycinnamate, trans-(2S,3R)Methylepoxycinnamate, methyl (2S,3S)-3-phenyloxirane-2-carboxylate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.06299 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.06299 Da |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
| SMILES | COC(=O)[C@@H]1[C@H](O1)C2=CC=CC=C2 |
| InChIKey | HAFFKTJSQPQAPC-BDAKNGLRSA-N |
Chemical Property Profile of methyl (2S,3S)-3-phenyloxirane-2-carboxylate
Property Insights of methyl (2S,3S)-3-phenyloxirane-2-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S,3S)-3-phenyloxirane-2-carboxylate. With a topological polar surface area (TPSA) of 38.8 Ų, methyl (2S,3S)-3-phenyloxirane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2S,3S)-3-phenyloxirane-2-carboxylate 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
What is the CAS number of methyl (2S,3S)-3-phenyloxirane-2-carboxylate?
The CAS number of methyl (2S,3S)-3-phenyloxirane-2-carboxylate is 115794-66-6.
What is the molecular formula of methyl (2S,3S)-3-phenyloxirane-2-carboxylate?
The molecular formula of methyl (2S,3S)-3-phenyloxirane-2-carboxylate is C10H10O3.
What is the molecular weight of methyl (2S,3S)-3-phenyloxirane-2-carboxylate?
The molecular weight of methyl (2S,3S)-3-phenyloxirane-2-carboxylate is 178.06299 g/mol.
Where can I buy methyl (2S,3S)-3-phenyloxirane-2-carboxylate?
You can request a quote for methyl (2S,3S)-3-phenyloxirane-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl (2S,3S)-3-phenyloxirane-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl (2S,3S)-3-phenyloxirane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.