![4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide structure](/static/products/489/489399-95-3.png)
4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
TL;DR: 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CAS 489399-95-3) is a chemical compound with molecular formula C18H14N6O4 and molecular weight 378.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
Also Known As: 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide, 4-nitro-N-(5-oxo-7-phenyl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide, 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide, 4-NITRO-N-{5-OXO-7-PHENYL-4H,5H,6H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL}BENZAMIDE
| Molecular Formula | C18H14N6O4 |
|---|---|
| Molecular Weight | 378.11 g/mol |
| LogP | 2.3702 |
| Topological Polar Surface Area | 132.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.10767 |
| Heavy Atoms | 28 |
| Complexity | 1061.4397 |
Chemical Identifiers
| CAS Number | 489399-95-3 |
|---|---|
| SMILES | C1C(N2C(=NC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])NC1=O)C4=CC=CC=C4 |
Product Overview
4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CAS 489399-95-3), with molecular formula C18H14N6O4 and molecular weight 378.11 g/mol. IUPAC: 4-nitro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
Chemical Property Profile of 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
Property Insights of 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
The XLogP value of 2.3702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide. The TPSA of 132.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide. Following Lipinski's Rule of Five, 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide has 2 hydrogen bond donor(s) and 6 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 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The CAS number of 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is 489399-95-3.
What is the molecular formula of 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The molecular formula of 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is C18H14N6O4.
What is the molecular weight of 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The molecular weight of 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is 378.11 g/mol.
Where can I buy 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
You can request a quote for 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.