![(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide structure](/static/products/117/1173684-68-8.png)
(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
TL;DR: (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide (CAS 1173684-68-8) is a chemical compound with molecular formula C17H13F3N4O3 and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
Also Known As: (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide, (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide, (S)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(4-(trifluoromethoxy)phenyl)propanamide
| Molecular Formula | C17H13F3N4O3 |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 2.8898 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.09396 |
| Heavy Atoms | 27 |
| Complexity | 1032.0133 |
Chemical Identifiers
| CAS Number | 1173684-68-8 |
|---|---|
| SMILES | C[C@@H](C(=O)NC1=CC=C(C=C1)OC(F)(F)F)N2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide (CAS 1173684-68-8), with molecular formula C17H13F3N4O3 and molecular weight 378.09 g/mol. IUPAC: (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide.
Chemical Property Profile of (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
Property Insights of (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
The XLogP value of 2.8898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide. Following Lipinski's Rule of Five, (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide has 1 hydrogen bond donor(s) and 5 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)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The CAS number of (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide is 1173684-68-8.
What is the molecular formula of (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The molecular formula of (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide is C17H13F3N4O3.
What is the molecular weight of (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The molecular weight of (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide is 378.09 g/mol.
Where can I buy (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
You can request a quote for (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.