Trifluoroacetyl-dialanine-4-nitroanilide
TL;DR: Trifluoroacetyl-dialanine-4-nitroanilide (CAS 68739-16-2) is a chemical compound with molecular formula C14H15F3N4O5 and molecular weight 376.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(4-nitroanilino)-N-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]propanamide
Also Known As: Tfadana, Trifluoroacetyl-dialanine-4-nitroanilide, Trifluoroacetyl-dialanine-p-nitroanilide, L-Alaninamide, N-(trifluoroacetyl)-L-alanyl-N-(4-nitrophenyl)-, (2S)-2-(4-Nitroanilino)-N-[(2S)-2-(2,2,2-trifluoroacetamido)propanoyl]propanamide
| Molecular Formula | C14H15F3N4O5 |
|---|---|
| Molecular Weight | 376.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.09946 |
| Heavy Atoms | 26 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 68739-16-2 |
|---|---|
| SMILES | C[C@@H](C(=O)NC(=O)[C@H](C)NC(=O)C(F)(F)F)NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | JGIBDPDQDQAOMR-YUMQZZPRSA-N |
Product Overview
Trifluoroacetyl-dialanine-4-nitroanilide (CAS 68739-16-2), with molecular formula C14H15F3N4O5 and molecular weight 376.10 g/mol. IUPAC: (2S)-2-(4-nitroanilino)-N-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]propanamide.
Chemical Property Profile of Trifluoroacetyl-dialanine-4-nitroanilide
Property Insights of Trifluoroacetyl-dialanine-4-nitroanilide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluoroacetyl-dialanine-4-nitroanilide. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trifluoroacetyl-dialanine-4-nitroanilide. Following Lipinski's Rule of Five, Trifluoroacetyl-dialanine-4-nitroanilide has 3 hydrogen bond donor(s) and 9 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 Trifluoroacetyl-dialanine-4-nitroanilide?
The CAS number of Trifluoroacetyl-dialanine-4-nitroanilide is 68739-16-2.
What is the molecular formula of Trifluoroacetyl-dialanine-4-nitroanilide?
The molecular formula of Trifluoroacetyl-dialanine-4-nitroanilide is C14H15F3N4O5.
What is the molecular weight of Trifluoroacetyl-dialanine-4-nitroanilide?
The molecular weight of Trifluoroacetyl-dialanine-4-nitroanilide is 376.10 g/mol.
Where can I buy Trifluoroacetyl-dialanine-4-nitroanilide?
You can request a quote for Trifluoroacetyl-dialanine-4-nitroanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoroacetyl-dialanine-4-nitroanilide?
Yes, KEHONG BIO provides custom synthesis services for Trifluoroacetyl-dialanine-4-nitroanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.