![4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol structure](/static/products/300/300389-48-4.png)
4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol
TL;DR: 4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol (CAS 300389-48-4) is a chemical compound with molecular formula C27H22N6O and molecular weight 446.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-2-(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)-5-methyl-1H-pyrazol-3-one
Also Known As: 4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol, 4-benzyl-2-(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)-5-methyl-1H-pyrazol-3-one
| Molecular Formula | C27H22N6O |
|---|---|
| Molecular Weight | 446.19 g/mol |
| LogP | 4.40602 |
| Topological Polar Surface Area | 81.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.18552 |
| Heavy Atoms | 34 |
| Complexity | 1679.3 |
Chemical Identifiers
| CAS Number | 300389-48-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=NC3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)N=N2)CC6=CC=CC=C6 |
Product Overview
4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol (CAS 300389-48-4), with molecular formula C27H22N6O and molecular weight 446.19 g/mol. IUPAC: 4-benzyl-2-(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of 4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol
Property Insights of 4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol
The XLogP value of 4.40602 indicates that 4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-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 4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol 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 4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol?
The CAS number of 4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol is 300389-48-4.
What is the molecular formula of 4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol?
The molecular formula of 4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol is C27H22N6O.
What is the molecular weight of 4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol?
The molecular weight of 4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol is 446.19 g/mol.
Where can I buy 4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol?
You can request a quote for 4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-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 4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.