Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis-
TL;DR: Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis- (CAS 1518-13-4) is a chemical compound with molecular formula C13H6N4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(dicyanomethylidene)-3-methylcyclohexa-2,5-dien-1-ylidene]propanedinitrile
Also Known As: MeTCNQ, 2-Methyltetracyanoquinodimethane, 2-methyl-7,7,8,8-tetracyanoquinodimethane, 2-Methyl-7,7,8,8-tetracyano-p-quinodimethane, 2-methyl-7,7',8,8'-tetracyanoquinodimethane
| Molecular Formula | C13H6N4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.05925 |
| Heavy Atoms | 17 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 1518-13-4 |
|---|---|
| SMILES | CC1=CC(=C(C#N)C#N)C=CC1=C(C#N)C#N |
| InChIKey | LAXLKUWCCCBCIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis- (CAS 1518-13-4), with molecular formula C13H6N4 and molecular weight 218.06 g/mol. IUPAC: 2-[4-(dicyanomethylidene)-3-methylcyclohexa-2,5-dien-1-ylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis-
Property Insights of Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis-. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis-. Following Lipinski's Rule of Five, Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis- has 0 hydrogen bond donor(s) and 4 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, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis-?
The CAS number of Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis- is 1518-13-4.
What is the molecular formula of Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis-?
The molecular formula of Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis- is C13H6N4.
What is the molecular weight of Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis-?
The molecular weight of Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis- is 218.06 g/mol.
Where can I buy Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis-?
You can request a quote for Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.