(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
TL;DR: (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide (CAS 1173684-32-6) is a chemical compound with molecular formula C16H12ClFN4O2 and molecular weight 346.0633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
Also Known As: (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide, (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide, (S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamide
Technical Specifications
| Molecular Formula | C16H12ClFN4O2 |
| Molecular Weight | 346.0633 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 74.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.0633 Da |
| Heavy Atoms | 24 |
| Complexity | 532.0 |
| SMILES | C[C@@H](C(=O)NC1=CC(=C(C=C1)F)Cl)N2C(=O)C3=CC=CC=C3N=N2 |
| InChIKey | CYHGFBHCGUEHGJ-VIFPVBQESA-N |
Chemical Property Profile of (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Property Insights of (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
The XLogP value of 3.6 indicates that (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide. Following Lipinski's Rule of Five, (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)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
What is the CAS number of (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide?
The CAS number of (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide is 1173684-32-6.
What is the molecular formula of (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide?
The molecular formula of (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide is C16H12ClFN4O2.
What is the molecular weight of (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide?
The molecular weight of (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide is 346.0633 g/mol.
Where can I buy (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide?
You can request a quote for (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide?
Yes, CoreyChem provides custom synthesis services for (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.