3,3-Diethylcyclopropane-1,1,2,2-tetracarbonitrile
TL;DR: 3,3-Diethylcyclopropane-1,1,2,2-tetracarbonitrile (CAS 104455-87-0) is a chemical compound with molecular formula C11H10N4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-diethylcyclopropane-1,1,2,2-tetracarbonitrile
Also Known As: NCIOpen2_001804, 3,3-diethylcyclopropane-1,1,2,2-tetracarbonitrile, 3,3-diethyl-1,1,2,2-tetracyanopropane, 1,1,2,2-Cyclopropanetetracarbonitrile,3,3-diethyl-
| Molecular Formula | C11H10N4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.09055 |
| Heavy Atoms | 15 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 104455-87-0 |
|---|---|
| SMILES | CCC1(C(C1(C#N)C#N)(C#N)C#N)CC |
| InChIKey | XPUKEJGMXIXRCF-UHFFFAOYSA-N |
Product Overview
3,3-Diethylcyclopropane-1,1,2,2-tetracarbonitrile (CAS 104455-87-0), with molecular formula C11H10N4 and molecular weight 198.09 g/mol. IUPAC: 3,3-diethylcyclopropane-1,1,2,2-tetracarbonitrile.
Chemical Property Profile of 3,3-Diethylcyclopropane-1,1,2,2-tetracarbonitrile
Property Insights of 3,3-Diethylcyclopropane-1,1,2,2-tetracarbonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Diethylcyclopropane-1,1,2,2-tetracarbonitrile. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Diethylcyclopropane-1,1,2,2-tetracarbonitrile. Following Lipinski's Rule of Five, 3,3-Diethylcyclopropane-1,1,2,2-tetracarbonitrile 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 3,3-Diethylcyclopropane-1,1,2,2-tetracarbonitrile?
The CAS number of 3,3-Diethylcyclopropane-1,1,2,2-tetracarbonitrile is 104455-87-0.
What is the molecular formula of 3,3-Diethylcyclopropane-1,1,2,2-tetracarbonitrile?
The molecular formula of 3,3-Diethylcyclopropane-1,1,2,2-tetracarbonitrile is C11H10N4.
What is the molecular weight of 3,3-Diethylcyclopropane-1,1,2,2-tetracarbonitrile?
The molecular weight of 3,3-Diethylcyclopropane-1,1,2,2-tetracarbonitrile is 198.09 g/mol.
Where can I buy 3,3-Diethylcyclopropane-1,1,2,2-tetracarbonitrile?
You can request a quote for 3,3-Diethylcyclopropane-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 3,3-Diethylcyclopropane-1,1,2,2-tetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Diethylcyclopropane-1,1,2,2-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.