(2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid
TL;DR: (2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid (CAS 96037-91-1) is a chemical compound with molecular formula C6H10F3NO2 and molecular weight 185.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid
Also Known As: Trifluoroleucine, (2s,4r)-5,5,5-trifluoroleucine, (4R)-5,5,5-Trifluoro-L-leucine, J1.538.730K, (2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid
| Molecular Formula | C6H10F3NO2 |
|---|---|
| Molecular Weight | 185.07 g/mol |
| LogP | 0.9868 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.06636 |
| Heavy Atoms | 12 |
| Complexity | 168.66635 |
Chemical Identifiers
| CAS Number | 96037-91-1 |
|---|---|
| SMILES | C[C@H](C[C@@H](C(=O)O)N)C(F)(F)F |
Product Overview
(2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid (CAS 96037-91-1), with molecular formula C6H10F3NO2 and molecular weight 185.07 g/mol. IUPAC: (2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid.
Chemical Property Profile of (2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid
Property Insights of (2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid
The XLogP value of 0.9868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid. Following Lipinski's Rule of Five, (2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid has 2 hydrogen bond donor(s) and 2 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,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid?
The CAS number of (2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid is 96037-91-1.
What is the molecular formula of (2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid?
The molecular formula of (2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid is C6H10F3NO2.
What is the molecular weight of (2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid?
The molecular weight of (2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid is 185.07 g/mol.
Where can I buy (2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid?
You can request a quote for (2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,4R)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.