Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid
TL;DR: Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid (CAS 270065-83-3) is a chemical compound with molecular formula C16H20N2O4 and molecular weight 304.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-4-(2-cyanophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Also Known As: Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid, Boc-2-cyano-D-beta-homophenylalanine, Boc-D-beta-HPhe(2-CN)-OH, Boc-D-?-Homophe(2-CN)-OH, Boc-D-
| Molecular Formula | C16H20N2O4 |
|---|---|
| Molecular Weight | 304.14 g/mol |
| LogP | 2.46878 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.1423 |
| Heavy Atoms | 22 |
| Complexity | 584.544 |
Chemical Identifiers
| CAS Number | 270065-83-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1C#N)CC(=O)O |
Product Overview
Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid (CAS 270065-83-3), with molecular formula C16H20N2O4 and molecular weight 304.14 g/mol. IUPAC: (3R)-4-(2-cyanophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
Chemical Property Profile of Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid
Property Insights of Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid
The XLogP value of 2.46878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid. Following Lipinski's Rule of Five, Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid has 2 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 Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid?
The CAS number of Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid is 270065-83-3.
What is the molecular formula of Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid?
The molecular formula of Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid is C16H20N2O4.
What is the molecular weight of Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid?
The molecular weight of Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid is 304.14 g/mol.
Where can I buy Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid?
You can request a quote for Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.