![6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol structure](/static/products/827/827012-75-9.png)
6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol
TL;DR: 6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol (CAS 827012-75-9) is a chemical compound with molecular formula C20H18N6O3 and molecular weight 390.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-5-methyl-2-[(3-nitrophenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: CBKinase1_010386, CBKinase1_022786, BRD-K62121078-001-01-9, 6-benzyl-5-methyl-2-((3-nitrobenzyl)amino)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 6-benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
| Molecular Formula | C20H18N6O3 |
|---|---|
| Molecular Weight | 390.14 g/mol |
| LogP | 2.83712 |
| Topological Polar Surface Area | 118.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.14404 |
| Heavy Atoms | 29 |
| Complexity | 1246.2991 |
Chemical Identifiers
| CAS Number | 827012-75-9 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4 |
Product Overview
6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol (CAS 827012-75-9), with molecular formula C20H18N6O3 and molecular weight 390.14 g/mol. IUPAC: 6-benzyl-5-methyl-2-[(3-nitrophenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Property Insights of 6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol
The XLogP value of 2.83712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol. The TPSA of 118.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol. Following Lipinski's Rule of Five, 6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol 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 6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol?
The CAS number of 6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol is 827012-75-9.
What is the molecular formula of 6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol?
The molecular formula of 6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol is C20H18N6O3.
What is the molecular weight of 6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol?
The molecular weight of 6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol is 390.14 g/mol.
Where can I buy 6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol?
You can request a quote for 6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzyl-5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.