Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)-
TL;DR: Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)- (CAS 104940-93-4) is a chemical compound with molecular formula C12H8N4O and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1,2,4-triazol-1-yl)prop-2-enoyl]benzonitrile
Also Known As: 4-[2-(1,2,4-triazol-1-yl)prop-2-enoyl]benzonitrile, Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)-, 4-[2-(1H-1,2,4-Triazol-1-yl)prop-2-enoyl]benzonitrile, Benzonitrile, 4-[1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl]-
| Molecular Formula | C12H8N4O |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.50338 |
| Topological Polar Surface Area | 71.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06981 |
| Heavy Atoms | 17 |
| Complexity | 590.4359 |
Chemical Identifiers
| CAS Number | 104940-93-4 |
|---|---|
| SMILES | C=C(C(=O)C1=CC=C(C=C1)C#N)N2C=NC=N2 |
Product Overview
Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)- (CAS 104940-93-4), with molecular formula C12H8N4O and molecular weight 224.07 g/mol. IUPAC: 4-[2-(1,2,4-triazol-1-yl)prop-2-enoyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)-
Property Insights of Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)-
The XLogP value of 1.50338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)-. The TPSA of 71.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)-. Following Lipinski's Rule of Five, Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)- has 0 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 Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)-?
The CAS number of Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)- is 104940-93-4.
What is the molecular formula of Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)-?
The molecular formula of Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)- is C12H8N4O.
What is the molecular weight of Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)-?
The molecular weight of Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)- is 224.07 g/mol.
Where can I buy Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)-?
You can request a quote for Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.