(2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate
TL;DR: (2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate (CAS 1212111-78-8) is a chemical compound with molecular formula C12H13ClO3 and molecular weight 240.05533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2R,3S)-3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate
Also Known As: (2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate, ETHYL (2R,3S)-3-(4-CHLOROPHENYL)-2-METHYLOXIRANE-2-CARBOXYLATE, C12H13ClO3
Technical Specifications
| Molecular Formula | C12H13ClO3 |
| Molecular Weight | 240.05533 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.05533 Da |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
| SMILES | CCOC(=O)[C@]1([C@@H](O1)C2=CC=C(C=C2)Cl)C |
| InChIKey | NCAJAILXFIVPSI-CMPLNLGQSA-N |
Chemical Property Profile of (2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate
Property Insights of (2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate. With a topological polar surface area (TPSA) of 38.8 Ų, (2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-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 (2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate?
The CAS number of (2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate is 1212111-78-8.
What is the molecular formula of (2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate?
The molecular formula of (2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate is C12H13ClO3.
What is the molecular weight of (2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate?
The molecular weight of (2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate is 240.05533 g/mol.
Where can I buy (2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate?
You can request a quote for (2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for (2R,3S)-ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.