![[4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide structure](/static/products/1162/116267-99-3.webp)
[4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide
TL;DR: [4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide (CAS 116267-99-3) is a chemical compound with molecular formula C10H4N4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide
Also Known As: N,7,7-tricyanoquinomethanimine, [4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide, 4-(Dicyanomethylene)-2,5-cyclohexadien-1-ylidenecyanamide, 3-Cyanoimino-6-dicyanomethylene-1,4-cyclohexadiene, Cyanamide, [4-(dicyanomethylene)-2,5-cyclohexadien-1-ylidene]-
| Molecular Formula | C10H4N4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.0436 |
| Heavy Atoms | 14 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 116267-99-3 |
|---|---|
| SMILES | C1=CC(=NC#N)C=CC1=C(C#N)C#N |
| InChIKey | PPPJNKXQPGCECC-UHFFFAOYSA-N |
Product Overview
[4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide (CAS 116267-99-3), with molecular formula C10H4N4 and molecular weight 180.04 g/mol. IUPAC: [4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide.
Chemical Property Profile of [4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide
Property Insights of [4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide. Following Lipinski's Rule of Five, [4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide 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 [4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide?
The CAS number of [4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide is 116267-99-3.
What is the molecular formula of [4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide?
The molecular formula of [4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide is C10H4N4.
What is the molecular weight of [4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide?
The molecular weight of [4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide is 180.04 g/mol.
Where can I buy [4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide?
You can request a quote for [4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide?
Yes, KEHONG BIO provides custom synthesis services for [4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]cyanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.