(3,4-Dichlorobenzylidene)malononitrile
TL;DR: (3,4-Dichlorobenzylidene)malononitrile (CAS 3138-23-6) is a chemical compound with molecular formula C10H4Cl2N2 and molecular weight 221.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylidene]propanedinitrile
Also Known As: (3,4-dichlorobenzylidene)malononitrile, 2-(3,4-dichlorobenzylidene)malononitrile, 2-[(3,4-dichlorophenyl)methylidene]propanedinitrile, 3,4-DICHLOROBENZYLIDENEMALONONITRILE, UPCMLD0ENAT5418587:001
| Molecular Formula | C10H4Cl2N2 |
|---|---|
| Molecular Weight | 221.98 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.97516 |
| Heavy Atoms | 14 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 3138-23-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=C(C#N)C#N)Cl)Cl |
| InChIKey | LHEPUPUAFKDYOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3,4-Dichlorobenzylidene)malononitrile (CAS 3138-23-6), with molecular formula C10H4Cl2N2 and molecular weight 221.98 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylidene]propanedinitrile.
Chemical Property Profile of (3,4-Dichlorobenzylidene)malononitrile
Property Insights of (3,4-Dichlorobenzylidene)malononitrile
The XLogP value of 3.3 indicates that (3,4-Dichlorobenzylidene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, (3,4-Dichlorobenzylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,4-Dichlorobenzylidene)malononitrile 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 (3,4-Dichlorobenzylidene)malononitrile?
The CAS number of (3,4-Dichlorobenzylidene)malononitrile is 3138-23-6.
What is the molecular formula of (3,4-Dichlorobenzylidene)malononitrile?
The molecular formula of (3,4-Dichlorobenzylidene)malononitrile is C10H4Cl2N2.
What is the molecular weight of (3,4-Dichlorobenzylidene)malononitrile?
The molecular weight of (3,4-Dichlorobenzylidene)malononitrile is 221.98 g/mol.
Where can I buy (3,4-Dichlorobenzylidene)malononitrile?
You can request a quote for (3,4-Dichlorobenzylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-Dichlorobenzylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for (3,4-Dichlorobenzylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.