(S)-3-((tert-butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)butanoic acid
TL;DR: (S)-3-((tert-butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)butanoic acid (CAS 269396-77-2) is a chemical compound with molecular formula C16H20F3NO4 and molecular weight 347.13 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-(trifluoromethyl)phenyl]butanoic acid
Also Known As: (S)-3-((tert-butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)butanoic acid, Boc-beta-HPhe(2-CF3)-OH, Boc-?-Homophe(2-CF3)-OH, Boc-, A-HoPhe(2-CF3)-OH
| Molecular Formula | C16H20F3NO4 |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | 3.6159 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.13443 |
| Heavy Atoms | 24 |
| Complexity | 593.7207 |
Chemical Identifiers
| CAS Number | 269396-77-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1C(F)(F)F)CC(=O)O |
Product Overview
(S)-3-((tert-butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)butanoic acid (CAS 269396-77-2), with molecular formula C16H20F3NO4 and molecular weight 347.13 g/mol. IUPAC: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(trifluoromethyl)phenyl]butanoic acid.
Chemical Property Profile of (S)-3-((tert-butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)butanoic acid
Property Insights of (S)-3-((tert-butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)butanoic acid
The XLogP value of 3.6159 indicates that (S)-3-((tert-butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)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-(2-(trifluoromethyl)phenyl)butanoic acid. Following Lipinski's Rule of Five, (S)-3-((tert-butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)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-(2-(trifluoromethyl)phenyl)butanoic acid?
The CAS number of (S)-3-((tert-butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)butanoic acid is 269396-77-2.
What is the molecular formula of (S)-3-((tert-butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)butanoic acid?
The molecular formula of (S)-3-((tert-butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)butanoic acid is C16H20F3NO4.
What is the molecular weight of (S)-3-((tert-butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)butanoic acid?
The molecular weight of (S)-3-((tert-butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)butanoic acid is 347.13 g/mol.
Where can I buy (S)-3-((tert-butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)butanoic acid?
You can request a quote for (S)-3-((tert-butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)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-(2-(trifluoromethyl)phenyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-((tert-butoxycarbonyl)amino)-4-(2-(trifluoromethyl)phenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.