ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate
TL;DR: ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate (CAS 742675-86-1) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate
Also Known As: ethyl 3-cyanophenylalaninate, ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 742675-86-1 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC(=CC=C1)C#N)N |
| InChIKey | RGXZIHIADJAGAV-NSHDSACASA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate (CAS 742675-86-1), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate.
Chemical Property Profile of ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate
Property Insights of ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate. Following Lipinski's Rule of Five, ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate 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
Frequently Asked Questions
What is the CAS number of ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate?
The CAS number of ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate is 742675-86-1.
What is the molecular formula of ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate?
The molecular formula of ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate is C12H14N2O2.
What is the molecular weight of ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate?
The molecular weight of ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate is 218.11 g/mol.
Where can I buy ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate?
You can request a quote for ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2S)-2-amino-3-(3-cyanophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.