2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane
TL;DR: 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane (CAS 1487-82-7) is a chemical compound with molecular formula C14H8N4 and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile
Also Known As: 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane, 2,5-Dimethyltetracyanoquinodimethane, 2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile, 6-METHYL-3-OXO-HEPTANOICACIDETHYLESTER, 2,5-Dimethyl-7,7,8,8-tetracyano-p-quinodimethane
| Molecular Formula | C14H8N4 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.07489 |
| Heavy Atoms | 18 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 1487-82-7 |
|---|---|
| SMILES | CC1=CC(=C(C#N)C#N)C(=CC1=C(C#N)C#N)C |
| InChIKey | DFJXWQJAMNCPII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane (CAS 1487-82-7), with molecular formula C14H8N4 and molecular weight 232.07 g/mol. IUPAC: 2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile.
Chemical Property Profile of 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane
Property Insights of 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane. Following Lipinski's Rule of Five, 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane 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 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane?
The CAS number of 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane is 1487-82-7.
What is the molecular formula of 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane?
The molecular formula of 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane is C14H8N4.
What is the molecular weight of 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane?
The molecular weight of 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane is 232.07 g/mol.
Where can I buy 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane?
You can request a quote for 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.