1,1':1',1''-Ter(cyclopropane)-2',2',3',3'-tetracarbonitrile
TL;DR: 1,1':1',1''-Ter(cyclopropane)-2',2',3',3'-tetracarbonitrile (CAS 105734-59-6) is a chemical compound with molecular formula C13H10N4 and molecular weight 222.09055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dicyclopropylcyclopropane-1,1,2,2-tetracarbonitrile
Also Known As: KST-1A9750, 1,1':1',1''-ter(cyclopropane)-2',2',3',3'-tetracarbonitrile, 3,3-dicyclopropylcyclopropane-1,1,2,2-tetracarbonitrile, [1,1':1',1''-Tercyclopropane]-2',2',3',3'-tetracarbonitrile(7CI,8CI), [1~1~,2~1~:2~1~,3~1~-Tercyclopropane]-2~2~,2~2~,2~3~,2~3~-tetracarbonitrile
Technical Specifications
| Molecular Formula | C13H10N4 |
| Molecular Weight | 222.09055 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.09055 Da |
| Heavy Atoms | 17 |
| Complexity | 511.0 |
| SMILES | C1CC1C2(C(C2(C#N)C#N)(C#N)C#N)C3CC3 |
| InChIKey | AYMKCWDJCWXPHM-UHFFFAOYSA-N |
Chemical Property Profile of 1,1':1',1''-Ter(cyclopropane)-2',2',3',3'-tetracarbonitrile
Property Insights of 1,1':1',1''-Ter(cyclopropane)-2',2',3',3'-tetracarbonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1':1',1''-Ter(cyclopropane)-2',2',3',3'-tetracarbonitrile. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1':1',1''-Ter(cyclopropane)-2',2',3',3'-tetracarbonitrile. Following Lipinski's Rule of Five, 1,1':1',1''-Ter(cyclopropane)-2',2',3',3'-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
What is the CAS number of 1,1':1',1''-Ter(cyclopropane)-2',2',3',3'-tetracarbonitrile?
The CAS number of 1,1':1',1''-Ter(cyclopropane)-2',2',3',3'-tetracarbonitrile is 105734-59-6.
What is the molecular formula of 1,1':1',1''-Ter(cyclopropane)-2',2',3',3'-tetracarbonitrile?
The molecular formula of 1,1':1',1''-Ter(cyclopropane)-2',2',3',3'-tetracarbonitrile is C13H10N4.
What is the molecular weight of 1,1':1',1''-Ter(cyclopropane)-2',2',3',3'-tetracarbonitrile?
The molecular weight of 1,1':1',1''-Ter(cyclopropane)-2',2',3',3'-tetracarbonitrile is 222.09055 g/mol.
Where can I buy 1,1':1',1''-Ter(cyclopropane)-2',2',3',3'-tetracarbonitrile?
You can request a quote for 1,1':1',1''-Ter(cyclopropane)-2',2',3',3'-tetracarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1':1',1''-Ter(cyclopropane)-2',2',3',3'-tetracarbonitrile?
Yes, CoreyChem provides custom synthesis services for 1,1':1',1''-Ter(cyclopropane)-2',2',3',3'-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.