![4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile structure](/static/products/801/801237-12-7.png)
4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile
TL;DR: 4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile (CAS 801237-12-7) is a chemical compound with molecular formula C19H16N4S and molecular weight 332.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
Also Known As: 4-(((4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile, 4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile, 4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile, 4-({[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
| Molecular Formula | C19H16N4S |
|---|---|
| Molecular Weight | 332.11 g/mol |
| LogP | 4.29508 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.10956 |
| Heavy Atoms | 24 |
| Complexity | 860.6325 |
Chemical Identifiers
| CAS Number | 801237-12-7 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC=CC=C3 |
Product Overview
4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile (CAS 801237-12-7), with molecular formula C19H16N4S and molecular weight 332.11 g/mol. IUPAC: 4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile
Property Insights of 4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile
The XLogP value of 4.29508 indicates that 4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile 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 4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile?
The CAS number of 4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile is 801237-12-7.
What is the molecular formula of 4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile?
The molecular formula of 4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile is C19H16N4S.
What is the molecular weight of 4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile?
The molecular weight of 4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile is 332.11 g/mol.
Where can I buy 4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile?
You can request a quote for 4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.