(2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid
TL;DR: (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid (CAS 959577-29-8) is a chemical compound with molecular formula C15H18F3NO5 and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
Also Known As: (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid, 6638AC, N-Boc-(2S,3S)-3-Amino-2-hydroxy-3-(2-trifluoromethyl-phenyl)-propionic acid, (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic acid, (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoicacid
| Molecular Formula | C15H18F3NO5 |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 2.7167 |
| Topological Polar Surface Area | 95.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.1137 |
| Heavy Atoms | 24 |
| Complexity | 609.8625 |
Chemical Identifiers
| CAS Number | 959577-29-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](C1=CC=CC=C1C(F)(F)F)[C@@H](C(=O)O)O |
Product Overview
(2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid (CAS 959577-29-8), with molecular formula C15H18F3NO5 and molecular weight 349.11 g/mol. IUPAC: (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic acid.
Chemical Property Profile of (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid
Property Insights of (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid
The XLogP value of 2.7167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid. The TPSA of 95.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid. Following Lipinski's Rule of Five, (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid has 3 hydrogen bond donor(s) and 4 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 (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid?
The CAS number of (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid is 959577-29-8.
What is the molecular formula of (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid?
The molecular formula of (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid is C15H18F3NO5.
What is the molecular weight of (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid?
The molecular weight of (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid is 349.11 g/mol.
Where can I buy (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid?
You can request a quote for (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-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 (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(2-(trifluoromethyl)phenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.