![4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile structure](/static/products/899/899383-86-9.png)
4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
TL;DR: 4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile (CAS 899383-86-9) is a chemical compound with molecular formula C24H20N4O2S and molecular weight 428.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile, 4-(((4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile, 4-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile, 4-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]methyl}benzen ecarbonitrile, REGID_for_CID_666804
| Molecular Formula | C24H20N4O2S |
|---|---|
| Molecular Weight | 428.13 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.1307 |
| Heavy Atoms | 31 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 899383-86-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)COC4=CC=CC=C4 |
| InChIKey | DYUMSXACKSDWFC-UHFFFAOYSA-N |
Product Overview
4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile (CAS 899383-86-9), with molecular formula C24H20N4O2S and molecular weight 428.13 g/mol. IUPAC: 4-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Property Insights of 4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
The XLogP value of 4.6 indicates that 4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-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 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile. Following Lipinski's Rule of Five, 4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-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-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile?
The CAS number of 4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile is 899383-86-9.
What is the molecular formula of 4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile?
The molecular formula of 4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile is C24H20N4O2S.
What is the molecular weight of 4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile?
The molecular weight of 4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile is 428.13 g/mol.
Where can I buy 4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile?
You can request a quote for 4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-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-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.