![methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate structure](/static/products/117/1173686-81-1.webp)
methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate
TL;DR: methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate (CAS 1173686-81-1) is a chemical compound with molecular formula C18H16N4O4 and molecular weight 352.11716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]benzoate
Also Known As: (S)-methyl 4-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)benzoate, methyl 4-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]benzoate, methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate
Technical Specifications
| Molecular Formula | C18H16N4O4 |
| Molecular Weight | 352.11716 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.11716 Da |
| Heavy Atoms | 26 |
| Complexity | 586.0 |
| SMILES | C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)OC)N2C(=O)C3=CC=CC=C3N=N2 |
| InChIKey | ZHZSBYNBSHXJIF-NSHDSACASA-N |
Chemical Property Profile of methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate
Property Insights of methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate 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 methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate?
The CAS number of methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate is 1173686-81-1.
What is the molecular formula of methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate?
The molecular formula of methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate is C18H16N4O4.
What is the molecular weight of methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate?
The molecular weight of methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate is 352.11716 g/mol.
Where can I buy methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate?
You can request a quote for methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate?
Yes, CoreyChem provides custom synthesis services for methyl 4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.