![1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol structure](/static/products/300/300586-93-0.png)
1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol
TL;DR: 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol (CAS 300586-93-0) is a chemical compound with molecular formula C27H30N6O and molecular weight 454.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-5-methyl-1H-pyrazol-3-one
Also Known As: 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol, 2-(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-5-methyl-1H-pyrazol-3-one
| Molecular Formula | C27H30N6O |
|---|---|
| Molecular Weight | 454.25 g/mol |
| LogP | 5.32812 |
| Topological Polar Surface Area | 81.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 454.2481 |
| Heavy Atoms | 34 |
| Complexity | 1478.1168 |
Chemical Identifiers
| CAS Number | 300586-93-0 |
|---|---|
| SMILES | CCCCCCCC1=C(NN(C1=O)C2=NC3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)N=N2)C |
Product Overview
1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol (CAS 300586-93-0), with molecular formula C27H30N6O and molecular weight 454.25 g/mol. IUPAC: 2-(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol
Property Insights of 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol
The XLogP value of 5.32812 indicates that 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol?
The CAS number of 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol is 300586-93-0.
What is the molecular formula of 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol?
The molecular formula of 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol is C27H30N6O.
What is the molecular weight of 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol?
The molecular weight of 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol is 454.25 g/mol.
Where can I buy 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol?
You can request a quote for 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-3-methyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.