![4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile structure](/static/products/896/896066-72-1.png)
4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
TL;DR: 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile (CAS 896066-72-1) is a chemical compound with molecular formula C25H21ClN4O2S and molecular weight 476.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile, 4-(((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile, 4-({[5-(4-chlorophenoxymethyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile, 4-({5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio}meth yl)benzenecarbonitrile, 4-[({5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
| Molecular Formula | C25H21ClN4O2S |
|---|---|
| Molecular Weight | 476.11 g/mol |
| LogP | 6.06238 |
| Topological Polar Surface Area | 72.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.10736 |
| Heavy Atoms | 33 |
| Complexity | 1233.6447 |
Chemical Identifiers
| CAS Number | 896066-72-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)COC4=CC=C(C=C4)Cl |
Product Overview
4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile (CAS 896066-72-1), with molecular formula C25H21ClN4O2S and molecular weight 476.11 g/mol. IUPAC: 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Property Insights of 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
The XLogP value of 6.06238 indicates that 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile. Following Lipinski's Rule of Five, 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile?
The CAS number of 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile is 896066-72-1.
What is the molecular formula of 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile?
The molecular formula of 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile is C25H21ClN4O2S.
What is the molecular weight of 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile?
The molecular weight of 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile is 476.11 g/mol.
Where can I buy 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile?
You can request a quote for 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.