![methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate structure](/static/products/121/1214807-03-0.webp)
methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate
TL;DR: methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate (CAS 1214807-03-0) is a chemical compound with molecular formula C11H9ClF3NO3 and molecular weight 295.0223 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate
Also Known As: methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate, methyl 2-(3-chlorobenzamido)-3,3,3-trifluoropropanoate, methyl 2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate
Technical Specifications
| Molecular Formula | C11H9ClF3NO3 |
| Molecular Weight | 295.0223 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0223 Da |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
| SMILES | COC(=O)C(C(F)(F)F)NC(=O)C1=CC(=CC=C1)Cl |
| InChIKey | NCLQJMOEHZVTST-UHFFFAOYSA-N |
Chemical Property Profile of methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate
Property Insights of methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate. With a topological polar surface area (TPSA) of 55.4 Ų, methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate has 1 hydrogen bond donor(s) and 6 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 N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate?
The CAS number of methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate is 1214807-03-0.
What is the molecular formula of methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate?
The molecular formula of methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate is C11H9ClF3NO3.
What is the molecular weight of methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate?
The molecular weight of methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate is 295.0223 g/mol.
Where can I buy methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate?
You can request a quote for methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate?
Yes, CoreyChem provides custom synthesis services for methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.