![3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide structure](/static/products/4403/440331-61-3.webp)
3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide
TL;DR: 3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide (CAS 440331-61-3) is a chemical compound with molecular formula C18H18N4O2 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-phenylethyl)propanamide
Also Known As: 3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide, 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-phenylethyl)propanamide, 3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)-N-(2-phenylethyl)propanamide, F0916-6849, 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenethylpropanamide
| Molecular Formula | C18H18N4O2 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 1.5405 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.14297 |
| Heavy Atoms | 24 |
| Complexity | 890.1643 |
Chemical Identifiers
| CAS Number | 440331-61-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide (CAS 440331-61-3), with molecular formula C18H18N4O2 and molecular weight 322.14 g/mol. IUPAC: 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-phenylethyl)propanamide.
Chemical Property Profile of 3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide
Property Insights of 3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide
The XLogP value of 1.5405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide. Following Lipinski's Rule of Five, 3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide 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 3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide?
The CAS number of 3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide is 440331-61-3.
What is the molecular formula of 3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide?
The molecular formula of 3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide is C18H18N4O2.
What is the molecular weight of 3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide?
The molecular weight of 3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide is 322.14 g/mol.
Where can I buy 3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide?
You can request a quote for 3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-phenethylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.