(2S)-3-methyl-2-(trifluoroacetamido)butanoic acid
TL;DR: (2S)-3-methyl-2-(trifluoroacetamido)butanoic acid (CAS 349-00-8) is a chemical compound with molecular formula C7H10F3NO3 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
Also Known As: (2S)-3-methyl-2-(trifluoroacetamido)butanoic acid, N-trifluoroacetylvaline, Trifluoracetyl-L-valin, N-trifluoroacetyl-L-valine, n-(trifluoroacetyl)valine
| Molecular Formula | C7H10F3NO3 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 0.7741 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.06128 |
| Heavy Atoms | 14 |
| Complexity | 236.82474 |
Chemical Identifiers
| CAS Number | 349-00-8 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)C(F)(F)F |
Product Overview
(2S)-3-methyl-2-(trifluoroacetamido)butanoic acid (CAS 349-00-8), with molecular formula C7H10F3NO3 and molecular weight 213.06 g/mol. IUPAC: (2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid.
Chemical Property Profile of (2S)-3-methyl-2-(trifluoroacetamido)butanoic acid
Property Insights of (2S)-3-methyl-2-(trifluoroacetamido)butanoic acid
The XLogP value of 0.7741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3-methyl-2-(trifluoroacetamido)butanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-methyl-2-(trifluoroacetamido)butanoic acid. Following Lipinski's Rule of Five, (2S)-3-methyl-2-(trifluoroacetamido)butanoic 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)-3-methyl-2-(trifluoroacetamido)butanoic acid?
The CAS number of (2S)-3-methyl-2-(trifluoroacetamido)butanoic acid is 349-00-8.
What is the molecular formula of (2S)-3-methyl-2-(trifluoroacetamido)butanoic acid?
The molecular formula of (2S)-3-methyl-2-(trifluoroacetamido)butanoic acid is C7H10F3NO3.
What is the molecular weight of (2S)-3-methyl-2-(trifluoroacetamido)butanoic acid?
The molecular weight of (2S)-3-methyl-2-(trifluoroacetamido)butanoic acid is 213.06 g/mol.
Where can I buy (2S)-3-methyl-2-(trifluoroacetamido)butanoic acid?
You can request a quote for (2S)-3-methyl-2-(trifluoroacetamido)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-3-methyl-2-(trifluoroacetamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-3-methyl-2-(trifluoroacetamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.