2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide
TL;DR: 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide (CAS 98507-06-3) is a chemical compound with molecular formula C10H8N4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
Also Known As: 2,5-DimethylDCNQI, 2,5-Dimethyldicyanoquinonediimine, 2,5-DIMETHYL-2,5-CYCLOHEXADIENE-1,4-DIYLIDENEBISCYANAMIDE, (4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide, 2,5-Dimethyl-N,N -dicyanoquinonediimine
| Molecular Formula | C10H8N4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.73676 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.07489 |
| Heavy Atoms | 14 |
| Complexity | 405.4941 |
Chemical Identifiers
| CAS Number | 98507-06-3 |
|---|---|
| SMILES | CC1=CC(=NC#N)C(=CC1=NC#N)C |
Product Overview
2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide (CAS 98507-06-3), with molecular formula C10H8N4 and molecular weight 184.07 g/mol. IUPAC: (4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide.
Chemical Property Profile of 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide
Property Insights of 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide
The XLogP value of 1.73676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide. Following Lipinski's Rule of Five, 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide 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-2,5-cyclohexadiene-1,4-diylidenebiscyanamide?
The CAS number of 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide is 98507-06-3.
What is the molecular formula of 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide?
The molecular formula of 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide is C10H8N4.
What is the molecular weight of 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide?
The molecular weight of 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide is 184.07 g/mol.
Where can I buy 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide?
You can request a quote for 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide 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-2,5-cyclohexadiene-1,4-diylidenebiscyanamide?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.