(3S)-3-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid
TL;DR: (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid (CAS 269726-83-2) 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.
(3S)-4-(3-cyanophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Also Known As: Boc-(S)-3-Amino-4-(3-cyano-phenyl)-butyric acid, (S)-3-((tert-butoxycarbonyl)amino)-4-(3-cyanophenyl)butanoic acid, Boc-beta-HPhe(3-CN)-OH, Boc-, A-HoPhe(3-CN)-OH
| 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 | 269726-83-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC(=CC=C1)C#N)CC(=O)O |
Product Overview
(3S)-3-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid (CAS 269726-83-2), with molecular formula C16H20N2O4 and molecular weight 304.14 g/mol. IUPAC: (3S)-4-(3-cyanophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
Chemical Property Profile of (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid
Property Insights of (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid
The XLogP value of 2.46878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid. Following Lipinski's Rule of Five, (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic 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 (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid?
The CAS number of (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid is 269726-83-2.
What is the molecular formula of (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid?
The molecular formula of (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid is C16H20N2O4.
What is the molecular weight of (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid?
The molecular weight of (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid is 304.14 g/mol.
Where can I buy (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid?
You can request a quote for (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic 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-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.