![2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile structure](/static/products/333/333770-97-1.png)
2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile
TL;DR: 2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile (CAS 333770-97-1) is a chemical compound with molecular formula C14H6Cl2N2O and molecular weight 287.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]propanedinitrile
Also Known As: BAS 01004408, 2-{[5-(2,3-dichlorophenyl)-2-furyl]methylene}malononitrile, 2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]propanedinitrile, 2-[5-(2,3-Dichloro-phenyl)-furan-2-ylmethylene]-malononitrile, {[5-(2,3-dichlorophenyl)furan-2-yl]methylidene}propanedinitrile
| Molecular Formula | C14H6Cl2N2O |
|---|---|
| Molecular Weight | 287.99 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.98572 |
| Heavy Atoms | 19 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 333770-97-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)C2=CC=C(O2)C=C(C#N)C#N |
| InChIKey | XKWQLQACPNZYBU-UHFFFAOYSA-N |
Product Overview
2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile (CAS 333770-97-1), with molecular formula C14H6Cl2N2O and molecular weight 287.99 g/mol. IUPAC: 2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]propanedinitrile.
Chemical Property Profile of 2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile
Property Insights of 2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile
The XLogP value of 4.0 indicates that 2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile. Following Lipinski's Rule of Five, 2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile has 0 hydrogen bond donor(s) and 3 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 2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile?
The CAS number of 2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile is 333770-97-1.
What is the molecular formula of 2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile?
The molecular formula of 2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile is C14H6Cl2N2O.
What is the molecular weight of 2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile?
The molecular weight of 2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile is 287.99 g/mol.
Where can I buy 2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile?
You can request a quote for 2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(2,3-Dichlorophenyl)-2-furyl]methylene}malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.