![4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile structure](/static/products/585/585552-14-3.png)
4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
TL;DR: 4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile (CAS 585552-14-3) is a chemical compound with molecular formula C20H15N5OS and molecular weight 373.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile, 4-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile, 4-{[4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]methyl}benzenecarbo nitrile, 4-(((4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile
| Molecular Formula | C20H15N5OS |
|---|---|
| Molecular Weight | 373.10 g/mol |
| LogP | 4.14538 |
| Topological Polar Surface Area | 80.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.09973 |
| Heavy Atoms | 27 |
| Complexity | 1050.2125 |
Chemical Identifiers
| CAS Number | 585552-14-3 |
|---|---|
| SMILES | C1=COC(=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=NC=C4 |
Product Overview
4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile (CAS 585552-14-3), with molecular formula C20H15N5OS and molecular weight 373.10 g/mol. IUPAC: 4-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Property Insights of 4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
The XLogP value of 4.14538 indicates that 4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile. Following Lipinski's Rule of Five, 4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile has 0 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-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile?
The CAS number of 4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile is 585552-14-3.
What is the molecular formula of 4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile?
The molecular formula of 4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile is C20H15N5OS.
What is the molecular weight of 4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile?
The molecular weight of 4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile is 373.10 g/mol.
Where can I buy 4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile?
You can request a quote for 4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)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-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.