Trifluoroacetyllysylalanine-trifluoromethylphenylanilide
TL;DR: Trifluoroacetyllysylalanine-trifluoromethylphenylanilide (CAS 2972-80-7) is a chemical compound with molecular formula C18H22F6N4O3 and molecular weight 456.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]-N-[(2S)-2-[4-(trifluoromethyl)anilino]propanoyl]hexanamide
Also Known As: Tfa-lys-ala-tfmpa, TFAI, Trifluoroacetyllysylalanine-trifluoromethylphenylanilide, Trifluoroacetyl-lysyl-alanyl-trifluoromethylphenylanilide, (2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]-N-[(2S)-2-[4-(trifluoromethyl)anilino]propanoyl]hexanamide
| Molecular Formula | C18H22F6N4O3 |
|---|---|
| Molecular Weight | 456.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.1596 |
| Heavy Atoms | 31 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 2972-80-7 |
|---|---|
| SMILES | C[C@@H](C(=O)NC(=O)[C@H](CCCCN)NC(=O)C(F)(F)F)NC1=CC=C(C=C1)C(F)(F)F |
| InChIKey | RWWZMFNNSUSTMW-GWCFXTLKSA-N |
Product Overview
Trifluoroacetyllysylalanine-trifluoromethylphenylanilide (CAS 2972-80-7), with molecular formula C18H22F6N4O3 and molecular weight 456.16 g/mol. IUPAC: (2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]-N-[(2S)-2-[4-(trifluoromethyl)anilino]propanoyl]hexanamide.
Chemical Property Profile of Trifluoroacetyllysylalanine-trifluoromethylphenylanilide
Property Insights of Trifluoroacetyllysylalanine-trifluoromethylphenylanilide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluoroacetyllysylalanine-trifluoromethylphenylanilide. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trifluoroacetyllysylalanine-trifluoromethylphenylanilide. Following Lipinski's Rule of Five, Trifluoroacetyllysylalanine-trifluoromethylphenylanilide has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trifluoroacetyllysylalanine-trifluoromethylphenylanilide?
The CAS number of Trifluoroacetyllysylalanine-trifluoromethylphenylanilide is 2972-80-7.
What is the molecular formula of Trifluoroacetyllysylalanine-trifluoromethylphenylanilide?
The molecular formula of Trifluoroacetyllysylalanine-trifluoromethylphenylanilide is C18H22F6N4O3.
What is the molecular weight of Trifluoroacetyllysylalanine-trifluoromethylphenylanilide?
The molecular weight of Trifluoroacetyllysylalanine-trifluoromethylphenylanilide is 456.16 g/mol.
Where can I buy Trifluoroacetyllysylalanine-trifluoromethylphenylanilide?
You can request a quote for Trifluoroacetyllysylalanine-trifluoromethylphenylanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoroacetyllysylalanine-trifluoromethylphenylanilide?
Yes, KEHONG BIO provides custom synthesis services for Trifluoroacetyllysylalanine-trifluoromethylphenylanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.