![(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide structure](/static/products/117/1173684-52-0.png)
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
TL;DR: (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CAS 1173684-52-0) is a chemical compound with molecular formula C17H12ClF3N4O2 and molecular weight 396.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
Also Known As: (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide, (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide, (S)-N-(2-chloro-5-(trifluoromethyl)phenyl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamide
| Molecular Formula | C17H12ClF3N4O2 |
|---|---|
| Molecular Weight | 396.06 g/mol |
| LogP | 3.6634 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.0601 |
| Heavy Atoms | 27 |
| Complexity | 1081.6969 |
Chemical Identifiers
| CAS Number | 1173684-52-0 |
|---|---|
| SMILES | C[C@@H](C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)N2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CAS 1173684-52-0), with molecular formula C17H12ClF3N4O2 and molecular weight 396.06 g/mol. IUPAC: (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
Chemical Property Profile of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
Property Insights of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
The XLogP value of 3.6634 indicates that (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide. Following Lipinski's Rule of Five, (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has 1 hydrogen bond donor(s) and 4 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)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The CAS number of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is 1173684-52-0.
What is the molecular formula of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The molecular formula of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is C17H12ClF3N4O2.
What is the molecular weight of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The molecular weight of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is 396.06 g/mol.
Where can I buy (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
You can request a quote for (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.