(3S)-3-Amino-3-(4-cyanophenyl)propanoic acid
TL;DR: (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid (CAS 718596-77-1) is a chemical compound with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-amino-3-(4-cyanophenyl)propanoic acid
Also Known As: (S)-3-Amino-3-(4-cyanophenyl)propanoic acid, (3S)-3-amino-3-(4-cyanophenyl)propanoic acid, (S)-3-Amino-3-(4-cyano-phenyl)-propionic acid, Bionet2_001366, H-beta-Phe(4-CN)-OH
| Molecular Formula | C10H10N2O2 |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 1.03278 |
| Topological Polar Surface Area | 87.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.07423 |
| Heavy Atoms | 14 |
| Complexity | 364.70355 |
Chemical Identifiers
| CAS Number | 718596-77-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)[C@H](CC(=O)O)N |
Product Overview
(3S)-3-Amino-3-(4-cyanophenyl)propanoic acid (CAS 718596-77-1), with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol. IUPAC: (3S)-3-amino-3-(4-cyanophenyl)propanoic acid.
Chemical Property Profile of (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid
Property Insights of (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid
The XLogP value of 1.03278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid. The TPSA of 87.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid. Following Lipinski's Rule of Five, (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid has 2 hydrogen bond donor(s) and 3 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 (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid?
The CAS number of (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid is 718596-77-1.
What is the molecular formula of (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid?
The molecular formula of (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid is C10H10N2O2.
What is the molecular weight of (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid?
The molecular weight of (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid is 190.07 g/mol.
Where can I buy (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid?
You can request a quote for (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.