4-(((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile
TL;DR: 4-(((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile (CAS 849017-09-0) is a chemical compound with molecular formula C23H20N4O2S and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-(((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile, 4-({[4-(furan-2-ylmethyl)-5-(4-methylphenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile, 4-({4-(2-furylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-ylthio}methy l)benzenecarbonitrile, 4-[({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile, 4-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
| Molecular Formula | C23H20N4O2S |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 4.9708 |
| Topological Polar Surface Area | 76.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.1307 |
| Heavy Atoms | 30 |
| Complexity | 1127.6722 |
Chemical Identifiers
| CAS Number | 849017-09-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)C#N |
Product Overview
4-(((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile (CAS 849017-09-0), with molecular formula C23H20N4O2S and molecular weight 416.13 g/mol. IUPAC: 4-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-(((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile
Property Insights of 4-(((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile
The XLogP value of 4.9708 indicates that 4-(((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile. Following Lipinski's Rule of Five, 4-(((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)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-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
The CAS number of 4-(((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile is 849017-09-0.
What is the molecular formula of 4-(((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
The molecular formula of 4-(((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile is C23H20N4O2S.
What is the molecular weight of 4-(((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
The molecular weight of 4-(((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile is 416.13 g/mol.
Where can I buy 4-(((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
You can request a quote for 4-(((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)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-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(((4-(furan-2-ylmethyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.