4-(((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile
TL;DR: 4-(((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile (CAS 587002-44-6) is a chemical compound with molecular formula C17H15N5OS and molecular weight 337.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-(((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile, 4-({[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile, 4-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile, 4-{[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzenecarbonitr ile
| Molecular Formula | C17H15N5OS |
|---|---|
| Molecular Weight | 337.10 g/mol |
| LogP | 2.83148 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.09973 |
| Heavy Atoms | 24 |
| Complexity | 882.7417 |
Chemical Identifiers
| CAS Number | 587002-44-6 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N |
Product Overview
4-(((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile (CAS 587002-44-6), with molecular formula C17H15N5OS and molecular weight 337.10 g/mol. IUPAC: 4-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-(((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile
Property Insights of 4-(((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile
The XLogP value of 2.83148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile. Following Lipinski's Rule of Five, 4-(((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile has 1 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-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
The CAS number of 4-(((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile is 587002-44-6.
What is the molecular formula of 4-(((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
The molecular formula of 4-(((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile is C17H15N5OS.
What is the molecular weight of 4-(((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
The molecular weight of 4-(((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile is 337.10 g/mol.
Where can I buy 4-(((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
You can request a quote for 4-(((4-amino-5-(3-methoxyphenyl)-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-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.