![3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile structure](/static/products/1164/1164552-75-3.webp)
3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile
TL;DR: 3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile (CAS 1164552-75-3) is a chemical compound with molecular formula C14H10ClN7 and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile
Also Known As: 3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile, 3-(4-chlorophenyl)-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile
| Molecular Formula | C14H10ClN7 |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 2.16208 |
| Topological Polar Surface Area | 96.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.06863 |
| Heavy Atoms | 22 |
| Complexity | 824.96094 |
Chemical Identifiers
| CAS Number | 1164552-75-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C2=NNC(=N2)CN3C=NC=N3)Cl |
Product Overview
3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile (CAS 1164552-75-3), with molecular formula C14H10ClN7 and molecular weight 311.07 g/mol. IUPAC: 3-(4-chlorophenyl)-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile.
Chemical Property Profile of 3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile
Property Insights of 3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile
The XLogP value of 2.16208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile. The TPSA of 96.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile has 1 hydrogen bond donor(s) and 5 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 3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile?
The CAS number of 3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile is 1164552-75-3.
What is the molecular formula of 3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile?
The molecular formula of 3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile is C14H10ClN7.
What is the molecular weight of 3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile?
The molecular weight of 3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile is 311.07 g/mol.
Where can I buy 3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile?
You can request a quote for 3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.