ethyl (3S)-4-amino-3-phenylbutanoate
TL;DR: ethyl (3S)-4-amino-3-phenylbutanoate (CAS 1431854-83-9) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (3S)-4-amino-3-phenylbutanoate
Also Known As: Ethyl ester of phenigama, ethyl (3S)-4-amino-3-phenylbutanoate, Benzenepropanoic acid, beta-(aminomethyl)-, ethyl ester, (betaS)-
Technical Specifications
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.12593 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 207.12593 Da |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
| SMILES | CCOC(=O)C[C@H](CN)C1=CC=CC=C1 |
| InChIKey | ADSZNFBIRHALJL-LLVKDONJSA-N |
Chemical Property Profile of ethyl (3S)-4-amino-3-phenylbutanoate
Property Insights of ethyl (3S)-4-amino-3-phenylbutanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3S)-4-amino-3-phenylbutanoate. With a topological polar surface area (TPSA) of 52.3 Ų, ethyl (3S)-4-amino-3-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (3S)-4-amino-3-phenylbutanoate 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 (3S)-4-amino-3-phenylbutanoate?
The CAS number of ethyl (3S)-4-amino-3-phenylbutanoate is 1431854-83-9.
What is the molecular formula of ethyl (3S)-4-amino-3-phenylbutanoate?
The molecular formula of ethyl (3S)-4-amino-3-phenylbutanoate is C12H17NO2.
What is the molecular weight of ethyl (3S)-4-amino-3-phenylbutanoate?
The molecular weight of ethyl (3S)-4-amino-3-phenylbutanoate is 207.12593 g/mol.
Where can I buy ethyl (3S)-4-amino-3-phenylbutanoate?
You can request a quote for ethyl (3S)-4-amino-3-phenylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (3S)-4-amino-3-phenylbutanoate?
Yes, CoreyChem provides custom synthesis services for ethyl (3S)-4-amino-3-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.