1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile
TL;DR: 1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile (CAS 95081-84-8) is a chemical compound with molecular formula C11H8N4O and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile
Also Known As: ChemDiv2_002120, 1-(2-oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile, 1-(2-Oxocyclopentyl)-1,1,2,2-ethanetetracarbonitrile, 2,3-Dicyano-2-(2-oxo-cyclopentyl)-succinonitrile, 1,1,2,2-Ethanetetracarbonitrile, 1-(2-oxocyclopentyl)-
| Molecular Formula | C11H8N4O |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.06981 |
| Heavy Atoms | 16 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 95081-84-8 |
|---|---|
| SMILES | C1CC(C(=O)C1)C(C#N)(C#N)C(C#N)C#N |
| InChIKey | HHEVNIQTDOUUNK-UHFFFAOYSA-N |
Product Overview
1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile (CAS 95081-84-8), with molecular formula C11H8N4O and molecular weight 212.07 g/mol. IUPAC: 1-(2-oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile.
Chemical Property Profile of 1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile
Property Insights of 1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile
The XLogP value of -0.4 indicates that 1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile. Following Lipinski's Rule of Five, 1-(2-Oxocyclopentyl)ethane-1,1,2,2-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 1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile?
The CAS number of 1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile is 95081-84-8.
What is the molecular formula of 1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile?
The molecular formula of 1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile is C11H8N4O.
What is the molecular weight of 1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile?
The molecular weight of 1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile is 212.07 g/mol.
Where can I buy 1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile?
You can request a quote for 1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.