(S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid
TL;DR: (S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid (CAS 269398-93-8) is a chemical compound with molecular formula C15H16F5NO4 and molecular weight 369.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid
Also Known As: (S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid, Boc-(S)-3-Amino-4-(pentafluoro-phenyl)-butyric acid, Boc-pentafluoro-L-beta-homophenylalanine, Boc-Phe(F5)-(C#CH2)OH, Boc-(S)-3-Amino-4-(pentafluorophenyl)butyric acid
| Molecular Formula | C15H16F5NO4 |
|---|---|
| Molecular Weight | 369.10 g/mol |
| LogP | 3.2926 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.09995 |
| Heavy Atoms | 25 |
| Complexity | 658.4749 |
Chemical Identifiers
| CAS Number | 269398-93-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=C(C(=C(C(=C1F)F)F)F)F)CC(=O)O |
Product Overview
(S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid (CAS 269398-93-8), with molecular formula C15H16F5NO4 and molecular weight 369.10 g/mol. IUPAC: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid.
Chemical Property Profile of (S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid
Property Insights of (S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid
The XLogP value of 3.2926 indicates that (S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid. Following Lipinski's Rule of Five, (S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic 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 (S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid?
The CAS number of (S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid is 269398-93-8.
What is the molecular formula of (S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid?
The molecular formula of (S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid is C15H16F5NO4.
What is the molecular weight of (S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid?
The molecular weight of (S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid is 369.10 g/mol.
Where can I buy (S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid?
You can request a quote for (S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-((tert-butoxycarbonyl)amino)-4-(perfluorophenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.