Propanedinitrile, ((2,6-dichlorophenyl)methylene)-
TL;DR: Propanedinitrile, ((2,6-dichlorophenyl)methylene)- (CAS 2972-79-4) 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-[(2,6-dichlorophenyl)methylidene]propanedinitrile
Also Known As: starbld0005097, (2,6-dichlorobenzylidene)malononitrile, 2-[(2,6-dichlorophenyl)methylidene]propanedinitrile, NCIOpen2_006646, Propanedinitrile, ((2,6-dichlorophenyl)methylene)-
| 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 | 303.0 |
Chemical Identifiers
| CAS Number | 2972-79-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C=C(C#N)C#N)Cl |
| InChIKey | JONNMZZDUHHEOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedinitrile, ((2,6-dichlorophenyl)methylene)- (CAS 2972-79-4), with molecular formula C10H4Cl2N2 and molecular weight 221.98 g/mol. IUPAC: 2-[(2,6-dichlorophenyl)methylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, ((2,6-dichlorophenyl)methylene)-
Property Insights of Propanedinitrile, ((2,6-dichlorophenyl)methylene)-
The XLogP value of 3.3 indicates that Propanedinitrile, ((2,6-dichlorophenyl)methylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, Propanedinitrile, ((2,6-dichlorophenyl)methylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedinitrile, ((2,6-dichlorophenyl)methylene)- 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 Propanedinitrile, ((2,6-dichlorophenyl)methylene)-?
The CAS number of Propanedinitrile, ((2,6-dichlorophenyl)methylene)- is 2972-79-4.
What is the molecular formula of Propanedinitrile, ((2,6-dichlorophenyl)methylene)-?
The molecular formula of Propanedinitrile, ((2,6-dichlorophenyl)methylene)- is C10H4Cl2N2.
What is the molecular weight of Propanedinitrile, ((2,6-dichlorophenyl)methylene)-?
The molecular weight of Propanedinitrile, ((2,6-dichlorophenyl)methylene)- is 221.98 g/mol.
Where can I buy Propanedinitrile, ((2,6-dichlorophenyl)methylene)-?
You can request a quote for Propanedinitrile, ((2,6-dichlorophenyl)methylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, ((2,6-dichlorophenyl)methylene)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, ((2,6-dichlorophenyl)methylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.