![ethyl N-[(4-chlorophenyl)carbonyl]alaninate structure](/static/products/1280/128062-24-8.webp)
ethyl N-[(4-chlorophenyl)carbonyl]alaninate
TL;DR: ethyl N-[(4-chlorophenyl)carbonyl]alaninate (CAS 128062-24-8) is a chemical compound with molecular formula C12H14ClNO3 and molecular weight 255.06622 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(4-chlorobenzoyl)amino]propanoate
Also Known As: Ethyl (4-chlorobenzoyl)alaninate, ethyl N-[(4-chlorophenyl)carbonyl]alaninate, rac-ethyl 2-(4-chlorobenzamido)propanoate, ethyl 2-[(4-chlorobenzoyl)amino]propanoate, BB 0217567
Technical Specifications
| Molecular Formula | C12H14ClNO3 |
| Molecular Weight | 255.06622 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.06622 Da |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
| SMILES | CCOC(=O)C(C)NC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | PBOQVPFIBZWMNZ-UHFFFAOYSA-N |
Chemical Property Profile of ethyl N-[(4-chlorophenyl)carbonyl]alaninate
Property Insights of ethyl N-[(4-chlorophenyl)carbonyl]alaninate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[(4-chlorophenyl)carbonyl]alaninate. With a topological polar surface area (TPSA) of 55.4 Ų, ethyl N-[(4-chlorophenyl)carbonyl]alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl N-[(4-chlorophenyl)carbonyl]alaninate has 1 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 N-[(4-chlorophenyl)carbonyl]alaninate?
The CAS number of ethyl N-[(4-chlorophenyl)carbonyl]alaninate is 128062-24-8.
What is the molecular formula of ethyl N-[(4-chlorophenyl)carbonyl]alaninate?
The molecular formula of ethyl N-[(4-chlorophenyl)carbonyl]alaninate is C12H14ClNO3.
What is the molecular weight of ethyl N-[(4-chlorophenyl)carbonyl]alaninate?
The molecular weight of ethyl N-[(4-chlorophenyl)carbonyl]alaninate is 255.06622 g/mol.
Where can I buy ethyl N-[(4-chlorophenyl)carbonyl]alaninate?
You can request a quote for ethyl N-[(4-chlorophenyl)carbonyl]alaninate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl N-[(4-chlorophenyl)carbonyl]alaninate?
Yes, CoreyChem provides custom synthesis services for ethyl N-[(4-chlorophenyl)carbonyl]alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.