![4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate structure](/static/products/3677/36770-53-3.webp)
4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate
TL;DR: 4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate (CAS 36770-53-3) is a chemical compound with molecular formula C12H9N5O and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-4-(5-pyridin-4-yl-1,2,4-triazol-3-ylidene)pyridine
Also Known As: Topiroxostat Impurity 8, Topiroxostat Impurity 20, Topiroxostat Impurity 21, Topiroxostat Impurity 42, 1-hydroxy-4-(5-pyridin-4-yl-1,2,4-triazol-3-ylidene)pyridine
| Molecular Formula | C12H9N5O |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 2.2378 |
| Topological Polar Surface Area | 73.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.0807 |
| Heavy Atoms | 18 |
| Complexity | 596.61475 |
Chemical Identifiers
| CAS Number | 36770-53-3 |
|---|---|
| SMILES | C1=CN=CC=C1C2=NC(=C3C=CN(C=C3)O)N=N2 |
Product Overview
4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate (CAS 36770-53-3), with molecular formula C12H9N5O and molecular weight 239.08 g/mol. IUPAC: 1-hydroxy-4-(5-pyridin-4-yl-1,2,4-triazol-3-ylidene)pyridine.
Chemical Property Profile of 4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate
Property Insights of 4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate
The XLogP value of 2.2378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate. The TPSA of 73.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate. Following Lipinski's Rule of Five, 4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate has 1 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-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate?
The CAS number of 4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate is 36770-53-3.
What is the molecular formula of 4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate?
The molecular formula of 4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate is C12H9N5O.
What is the molecular weight of 4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate?
The molecular weight of 4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate is 239.08 g/mol.
Where can I buy 4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate?
You can request a quote for 4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.