(2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
TL;DR: (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide (CAS 1173687-61-0) is a chemical compound with molecular formula C20H21ClN4O4 and molecular weight 416.12512 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
Also Known As: (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide, (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide, (S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamide
Technical Specifications
| Molecular Formula | C20H21ClN4O4 |
| Molecular Weight | 416.12512 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 92.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.12512 Da |
| Heavy Atoms | 29 |
| Complexity | 632.0 |
| SMILES | CC(C)[C@@H](C(=O)NC1=CC(=C(C=C1OC)OC)Cl)N2C(=O)C3=CC=CC=C3N=N2 |
| InChIKey | TZOUQALQORZIQA-SFHVURJKSA-N |
Chemical Property Profile of (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Property Insights of (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
The XLogP value of 4.4 indicates that (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide. Following Lipinski's Rule of Five, (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide has 1 hydrogen bond donor(s) and 6 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-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide?
The CAS number of (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide is 1173687-61-0.
What is the molecular formula of (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide?
The molecular formula of (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide is C20H21ClN4O4.
What is the molecular weight of (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide?
The molecular weight of (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide is 416.12512 g/mol.
Where can I buy (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide?
You can request a quote for (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide?
Yes, CoreyChem provides custom synthesis services for (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.