3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide
TL;DR: 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide (CAS 78044-16-3) is a chemical compound with molecular formula C20H19F3N4O5 and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-[[(2S)-2-(4-nitroanilino)propanoyl]amino]-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
Also Known As: Tfmbdana, 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide, m-Trifluoromethylbenzoyl-dialanine-p-nitroanilide, N-[(2S)-1-[[(2S)-2-(4-nitroanilino)propanoyl]amino]-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide, L-Alaninamide, N-(3-(trifluoromethyl)benzoyl)-L-alanyl-N-(4-nitrophenyl)-
| Molecular Formula | C20H19F3N4O5 |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 2.8753 |
| Topological Polar Surface Area | 130.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.13077 |
| Heavy Atoms | 32 |
| Complexity | 1024.6405 |
Chemical Identifiers
| CAS Number | 78044-16-3 |
|---|---|
| SMILES | C[C@@H](C(=O)NC(=O)[C@H](C)NC(=O)C1=CC(=CC=C1)C(F)(F)F)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide (CAS 78044-16-3), with molecular formula C20H19F3N4O5 and molecular weight 452.13 g/mol. IUPAC: N-[(2S)-1-[[(2S)-2-(4-nitroanilino)propanoyl]amino]-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide
Property Insights of 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide
The XLogP value of 2.8753 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide. The TPSA of 130.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide. Following Lipinski's Rule of Five, 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide has 3 hydrogen bond donor(s) and 6 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 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide?
The CAS number of 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide is 78044-16-3.
What is the molecular formula of 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide?
The molecular formula of 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide is C20H19F3N4O5.
What is the molecular weight of 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide?
The molecular weight of 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide is 452.13 g/mol.
Where can I buy 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide?
You can request a quote for 3-Trifluoromethylbenzoyl-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 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide?
Yes, KEHONG BIO provides custom synthesis services for 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.