Topiroxostat
TL;DR: Topiroxostat (CAS 577778-58-6) is a chemical compound with molecular formula C13H8N6 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carbonitrile
Also Known As: Topiroxostat, topiloric, uriadec, topiroxostatum, Topiroxostat [INN]
| Molecular Formula | C13H8N6 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 1.80038 |
| Topological Polar Surface Area | 91.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.08104 |
| Heavy Atoms | 19 |
| Complexity | 741.07996 |
Chemical Identifiers
| CAS Number | 577778-58-6 |
|---|---|
| SMILES | C1=CN=CC=C1C2=NC(=NN2)C3=CC(=NC=C3)C#N |
Product Overview
Topiroxostat (CAS 577778-58-6), with molecular formula C13H8N6 and molecular weight 248.08 g/mol. IUPAC: 4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carbonitrile.
Chemical Property Profile of Topiroxostat
Property Insights of Topiroxostat
The XLogP value of 1.80038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Topiroxostat. The TPSA of 91.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Topiroxostat. Following Lipinski's Rule of Five, Topiroxostat has 1 hydrogen bond donor(s) and 5 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 Topiroxostat?
The CAS number of Topiroxostat is 577778-58-6.
What is the molecular formula of Topiroxostat?
The molecular formula of Topiroxostat is C13H8N6.
What is the molecular weight of Topiroxostat?
The molecular weight of Topiroxostat is 248.08 g/mol.
Where can I buy Topiroxostat?
You can request a quote for Topiroxostat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Topiroxostat?
Yes, KEHONG BIO provides custom synthesis services for Topiroxostat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.