5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile
TL;DR: 5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile (CAS 3777-90-0) is a chemical compound with molecular formula C9N6 and molecular weight 192.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile
Also Known As: diazotetracyanocyclopentadiene, Tetracyanodiazocyclopentadiene, 5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile, 5-Diazo-1,3-cyclopentadiene-1,2,3,4-tetracarbonitrile, 5-(??-diazynylidene)cyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile
| Molecular Formula | C9N6 |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 97.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.01845 |
| Heavy Atoms | 15 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 3777-90-0 |
|---|---|
| SMILES | C(#N)C1=C(C(=[N+]=[N-])C(=C1C#N)C#N)C#N |
| InChIKey | BMQOVHNDJPINQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile (CAS 3777-90-0), with molecular formula C9N6 and molecular weight 192.02 g/mol. IUPAC: 5-diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile.
Chemical Property Profile of 5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile
Property Insights of 5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile
The XLogP value of -0.1 indicates that 5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile. Following Lipinski's Rule of Five, 5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile has 0 hydrogen bond donor(s) and 5 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 5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile?
The CAS number of 5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile is 3777-90-0.
What is the molecular formula of 5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile?
The molecular formula of 5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile is C9N6.
What is the molecular weight of 5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile?
The molecular weight of 5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile is 192.02 g/mol.
Where can I buy 5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile?
You can request a quote for 5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Diazocyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.