![4-[(4-Amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile structure](/static/products/577/577700-24-4.png)
4-[(4-Amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile
TL;DR: 4-[(4-Amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile (CAS 577700-24-4) is a chemical compound with molecular formula C14H11N5OS and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-(((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile, 4-({[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile, 4-[(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile, 4-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
| Molecular Formula | C14H11N5OS |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 2.41588 |
| Topological Polar Surface Area | 93.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.06842 |
| Heavy Atoms | 21 |
| Complexity | 770.8048 |
Chemical Identifiers
| CAS Number | 577700-24-4 |
|---|---|
| SMILES | C1=COC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N |
Product Overview
4-[(4-Amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile (CAS 577700-24-4), with molecular formula C14H11N5OS and molecular weight 297.07 g/mol. IUPAC: 4-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-[(4-Amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile
Property Insights of 4-[(4-Amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile
The XLogP value of 2.41588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile. The TPSA of 93.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile. Following Lipinski's Rule of Five, 4-[(4-Amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile 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-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile?
The CAS number of 4-[(4-Amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile is 577700-24-4.
What is the molecular formula of 4-[(4-Amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile?
The molecular formula of 4-[(4-Amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile is C14H11N5OS.
What is the molecular weight of 4-[(4-Amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile?
The molecular weight of 4-[(4-Amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile is 297.07 g/mol.
Where can I buy 4-[(4-Amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile?
You can request a quote for 4-[(4-Amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile 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-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.