4-(((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile
TL;DR: 4-(((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile (CAS 586985-34-4) is a chemical compound with molecular formula C19H19N5OS and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-(((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile, 4-({4-amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}methyl)benzeneca rbonitrile, 4-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile, 4-[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
| Molecular Formula | C19H19N5OS |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 3.61008 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.13104 |
| Heavy Atoms | 26 |
| Complexity | 927.8477 |
Chemical Identifiers
| CAS Number | 586985-34-4 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N |
Product Overview
4-(((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile (CAS 586985-34-4), with molecular formula C19H19N5OS and molecular weight 365.13 g/mol. IUPAC: 4-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-(((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile
Property Insights of 4-(((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile
The XLogP value of 3.61008 indicates that 4-(((4-amino-5-(3-isopropoxyphenyl)-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 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile. Following Lipinski's Rule of Five, 4-(((4-amino-5-(3-isopropoxyphenyl)-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-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
The CAS number of 4-(((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile is 586985-34-4.
What is the molecular formula of 4-(((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
The molecular formula of 4-(((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile is C19H19N5OS.
What is the molecular weight of 4-(((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
The molecular weight of 4-(((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile is 365.13 g/mol.
Where can I buy 4-(((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
You can request a quote for 4-(((4-amino-5-(3-isopropoxyphenyl)-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-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.