4-Cyano-L-phenylalanine ethyl ester
TL;DR: 4-Cyano-L-phenylalanine ethyl ester (CAS 166588-14-3) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2S)-2-amino-3-(4-cyanophenyl)propanoate
Also Known As: ethyl 4-cyanophenylalaninate, Ethyl 4-cyano-L-phenylalaninate, 4-Cyano-L-phenylalanine ethyl ester, ethyl (2S)-2-amino-3-(4-cyanophenyl)propanoate, Ethyl 2-amino-3-(4-cyanophenyl)propanoate
Technical Specifications
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.10553 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.10553 Da |
| Heavy Atoms | 16 |
| Complexity | 274.0 |
| SMILES | CCOC(=O)[C@H](CC1=CC=C(C=C1)C#N)N |
| InChIKey | WWPHXHXFZDVVKD-NSHDSACASA-N |
Chemical Property Profile of 4-Cyano-L-phenylalanine ethyl ester
Property Insights of 4-Cyano-L-phenylalanine ethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyano-L-phenylalanine ethyl ester. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyano-L-phenylalanine ethyl ester. Following Lipinski's Rule of Five, 4-Cyano-L-phenylalanine ethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Cyano-L-phenylalanine ethyl ester?
The CAS number of 4-Cyano-L-phenylalanine ethyl ester is 166588-14-3.
What is the molecular formula of 4-Cyano-L-phenylalanine ethyl ester?
The molecular formula of 4-Cyano-L-phenylalanine ethyl ester is C12H14N2O2.
What is the molecular weight of 4-Cyano-L-phenylalanine ethyl ester?
The molecular weight of 4-Cyano-L-phenylalanine ethyl ester is 218.10553 g/mol.
Where can I buy 4-Cyano-L-phenylalanine ethyl ester?
You can request a quote for 4-Cyano-L-phenylalanine ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Cyano-L-phenylalanine ethyl ester?
Yes, CoreyChem provides custom synthesis services for 4-Cyano-L-phenylalanine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.