(3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid
TL;DR: (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid (CAS 269726-86-5) is a chemical compound with molecular formula C16H20N2O4 and molecular weight 304.1423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-4-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Also Known As: (S)-3-((tert-butoxycarbonyl)amino)-4-(4-cyanophenyl)butanoic acid, Boc-(S)-3-Amino-4-(4-cyano-phenyl)-butyric acid, Boc-beta-HPhe(4-CN)-OH, Boc-, A-HoPhe(4-CN)-OH
Technical Specifications
| Molecular Formula | C16H20N2O4 |
| Molecular Weight | 304.1423 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 99.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 304.1423 Da |
| Heavy Atoms | 22 |
| Complexity | 439.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C#N)CC(=O)O |
| InChIKey | UXSGGQWSQPYJTQ-ZDUSSCGKSA-N |
Chemical Property Profile of (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid
Property Insights of (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid. Following Lipinski's Rule of Five, (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid?
The CAS number of (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid is 269726-86-5.
What is the molecular formula of (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid?
The molecular formula of (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid is C16H20N2O4.
What is the molecular weight of (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid?
The molecular weight of (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid is 304.1423 g/mol.
Where can I buy (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid?
You can request a quote for (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid?
Yes, CoreyChem provides custom synthesis services for (3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.