Malononitrile, (2,6-dichlorocinnamylidene)-
TL;DR: Malononitrile, (2,6-dichlorocinnamylidene)- (CAS 101756-27-8) is a chemical compound with molecular formula C12H6Cl2N2 and molecular weight 247.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-3-(2,6-dichlorophenyl)prop-2-enylidene]propanedinitrile
Also Known As: 2,6-Dichlorocinnamylidenemalononitrile, (3-2,6-Dichlorocinnamylidine)malononitrile, MALONONITRILE, (2,6-DICHLOROCINNAMYLIDENE)-, 3-(2,6-Dichlorophenyl)-2-propenylidenemalononitrile, 2-[(E)-3-(2,6-dichlorophenyl)prop-2-enylidene]propanedinitrile
| Molecular Formula | C12H6Cl2N2 |
|---|---|
| Molecular Weight | 247.99 g/mol |
| LogP | 3.98016 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.9908 |
| Heavy Atoms | 16 |
| Complexity | 494.68024 |
Chemical Identifiers
| CAS Number | 101756-27-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)/C=C/C=C(C#N)C#N)Cl |
Product Overview
Malononitrile, (2,6-dichlorocinnamylidene)- (CAS 101756-27-8), with molecular formula C12H6Cl2N2 and molecular weight 247.99 g/mol. IUPAC: 2-[(E)-3-(2,6-dichlorophenyl)prop-2-enylidene]propanedinitrile.
Chemical Property Profile of Malononitrile, (2,6-dichlorocinnamylidene)-
Property Insights of Malononitrile, (2,6-dichlorocinnamylidene)-
The XLogP value of 3.98016 indicates that Malononitrile, (2,6-dichlorocinnamylidene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, Malononitrile, (2,6-dichlorocinnamylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malononitrile, (2,6-dichlorocinnamylidene)- has 0 hydrogen bond donor(s) and 2 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 Malononitrile, (2,6-dichlorocinnamylidene)-?
The CAS number of Malononitrile, (2,6-dichlorocinnamylidene)- is 101756-27-8.
What is the molecular formula of Malononitrile, (2,6-dichlorocinnamylidene)-?
The molecular formula of Malononitrile, (2,6-dichlorocinnamylidene)- is C12H6Cl2N2.
What is the molecular weight of Malononitrile, (2,6-dichlorocinnamylidene)-?
The molecular weight of Malononitrile, (2,6-dichlorocinnamylidene)- is 247.99 g/mol.
Where can I buy Malononitrile, (2,6-dichlorocinnamylidene)-?
You can request a quote for Malononitrile, (2,6-dichlorocinnamylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malononitrile, (2,6-dichlorocinnamylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Malononitrile, (2,6-dichlorocinnamylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.