![3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one structure](/static/products/863/863018-35-3.png)
3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
TL;DR: 3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one (CAS 863018-35-3) is a chemical compound with molecular formula C18H14N6O3 and molecular weight 362.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-[(4-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
Also Known As: AB00684861-01, 3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one, F0656-0083, 3-benzyl-6-[(4-nitrophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, 3-benzyl-6-[(4-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C18H14N6O3 |
|---|---|
| Molecular Weight | 362.11 g/mol |
| LogP | 1.9928 |
| Topological Polar Surface Area | 108.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.11273 |
| Heavy Atoms | 27 |
| Complexity | 1165.404 |
Chemical Identifiers
| CAS Number | 863018-35-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-])N=N2 |
Product Overview
3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one (CAS 863018-35-3), with molecular formula C18H14N6O3 and molecular weight 362.11 g/mol. IUPAC: 3-benzyl-6-[(4-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
Property Insights of 3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
The XLogP value of 1.9928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one. The TPSA of 108.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, 3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one has 0 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 3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
The CAS number of 3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one is 863018-35-3.
What is the molecular formula of 3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
The molecular formula of 3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one is C18H14N6O3.
What is the molecular weight of 3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
The molecular weight of 3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one is 362.11 g/mol.
Where can I buy 3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
You can request a quote for 3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-6-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.