2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid
TL;DR: 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid (CAS 167496-29-9) is a chemical compound with molecular formula C15H18F3NO4 and molecular weight 333.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic acid
Also Known As: N-Boc-4-(trifluoromethyl)-DL-phenylalanine, Boc-Phe(4-CF3)-OH, Boc-4-(trifluoromethyl)-D-phenylalanine, Boc-L-4-Trifluoromethylphenylalanine, Boc-D-Phe(4-CF3)-OH
| Molecular Formula | C15H18F3NO4 |
|---|---|
| Molecular Weight | 333.12 g/mol |
| LogP | 3.2258 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.1188 |
| Heavy Atoms | 23 |
| Complexity | 561.5701 |
Chemical Identifiers
| CAS Number | 167496-29-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(F)(F)F)C(=O)O |
Product Overview
2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid (CAS 167496-29-9), with molecular formula C15H18F3NO4 and molecular weight 333.12 g/mol. IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic acid.
Chemical Property Profile of 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid
Property Insights of 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid
The XLogP value of 3.2258 indicates that 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic 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 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid. Following Lipinski's Rule of Five, 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic 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 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid?
The CAS number of 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid is 167496-29-9.
What is the molecular formula of 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid?
The molecular formula of 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid is C15H18F3NO4.
What is the molecular weight of 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid?
The molecular weight of 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid is 333.12 g/mol.
Where can I buy 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid?
You can request a quote for 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.