Ethyl 3-(trichloromethyl)oxirane-2-carboxylate
TL;DR: Ethyl 3-(trichloromethyl)oxirane-2-carboxylate (CAS 10187-52-7) is a chemical compound with molecular formula C6H7Cl3O3 and molecular weight 231.94608 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(trichloromethyl)oxirane-2-carboxylate
Also Known As: ethyl 3-(trichloromethyl)oxirane-2-carboxylate, 2-Oxiranecarboxylicacid, 3-(trichloromethyl)-, ethyl ester, 2-Oxiranecarboxylic acid, 3-(trichloromethyl)-, ethyl ester
Technical Specifications
| Molecular Formula | C6H7Cl3O3 |
| Molecular Weight | 231.94608 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.94608 Da |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
| SMILES | CCOC(=O)C1C(O1)C(Cl)(Cl)Cl |
| InChIKey | RBBLXYPYAFKWHX-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-(trichloromethyl)oxirane-2-carboxylate
Property Insights of Ethyl 3-(trichloromethyl)oxirane-2-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(trichloromethyl)oxirane-2-carboxylate. With a topological polar surface area (TPSA) of 38.8 Ų, Ethyl 3-(trichloromethyl)oxirane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(trichloromethyl)oxirane-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 Ethyl 3-(trichloromethyl)oxirane-2-carboxylate?
The CAS number of Ethyl 3-(trichloromethyl)oxirane-2-carboxylate is 10187-52-7.
What is the molecular formula of Ethyl 3-(trichloromethyl)oxirane-2-carboxylate?
The molecular formula of Ethyl 3-(trichloromethyl)oxirane-2-carboxylate is C6H7Cl3O3.
What is the molecular weight of Ethyl 3-(trichloromethyl)oxirane-2-carboxylate?
The molecular weight of Ethyl 3-(trichloromethyl)oxirane-2-carboxylate is 231.94608 g/mol.
Where can I buy Ethyl 3-(trichloromethyl)oxirane-2-carboxylate?
You can request a quote for Ethyl 3-(trichloromethyl)oxirane-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-(trichloromethyl)oxirane-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-(trichloromethyl)oxirane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.