(R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid
TL;DR: (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid (CAS 500770-77-4) 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.
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
Also Known As: (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid, (R)-Boc-2-(trifluoromethyl)-beta-Phe-OH, Boc-D-?-Phe(2-CF3)-OH, (R)-Boc-beta-Phe(2-CF3)-OH, Boc-Phg(2-CF3)-(C#CH2)OH
| Molecular Formula | C15H18F3NO4 |
|---|---|
| Molecular Weight | 333.12 g/mol |
| LogP | 3.7459 |
| 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 | 578.8201 |
Chemical Identifiers
| CAS Number | 500770-77-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@H](CC(=O)O)C1=CC=CC=C1C(F)(F)F |
Product Overview
(R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid (CAS 500770-77-4), with molecular formula C15H18F3NO4 and molecular weight 333.12 g/mol. IUPAC: (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic acid.
Chemical Property Profile of (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid
Property Insights of (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid
The XLogP value of 3.7459 indicates that (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(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 (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid. Following Lipinski's Rule of Five, (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(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 (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid?
The CAS number of (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid is 500770-77-4.
What is the molecular formula of (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid?
The molecular formula of (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid is C15H18F3NO4.
What is the molecular weight of (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid?
The molecular weight of (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid is 333.12 g/mol.
Where can I buy (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid?
You can request a quote for (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(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 (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.