![3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile structure](/static/products/6802/680215-68-3.webp)
3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile
TL;DR: 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile (CAS 680215-68-3) is a chemical compound with molecular formula C20H14Cl2N4O2 and molecular weight 412.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]prop-2-enenitrile
Also Known As: 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile, (E)-3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]prop-2-enenitrile, 3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-([5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl)acrylonitrile, 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]prop-2-enenitrile, 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acryloni
| Molecular Formula | C20H14Cl2N4O2 |
|---|---|
| Molecular Weight | 412.05 g/mol |
| LogP | 5.36252 |
| Topological Polar Surface Area | 91.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.04938 |
| Heavy Atoms | 28 |
| Complexity | 1091.9746 |
Chemical Identifiers
| CAS Number | 680215-68-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N/C=C(\C#N)/C(=O)C2=C(OC(=C2)C3=CC=C(C=C3)Cl)C)Cl |
Product Overview
3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile (CAS 680215-68-3), with molecular formula C20H14Cl2N4O2 and molecular weight 412.05 g/mol. IUPAC: (E)-3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]prop-2-enenitrile.
Chemical Property Profile of 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile
Property Insights of 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile
The XLogP value of 5.36252 indicates that 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile. Following Lipinski's Rule of Five, 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile?
The CAS number of 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile is 680215-68-3.
What is the molecular formula of 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile?
The molecular formula of 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile is C20H14Cl2N4O2.
What is the molecular weight of 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile?
The molecular weight of 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile is 412.05 g/mol.
Where can I buy 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile?
You can request a quote for 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}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-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-{[5-(4-chlorophenyl)-2-methyl-3-furyl]carbonyl}acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.