3-Methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile
TL;DR: 3-Methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile (CAS 10444-11-8) is a chemical compound with molecular formula C14H8N4 and molecular weight 232.07489 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile
Also Known As: 3-methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile, 3-Phenyl-3-methyl-1,1,2,2-tetracyanocyclopropane, J1.322.085I, 1,1,2,2-Cyclopropanetetracarbonitrile,3-methyl-3-phenyl-, 3-Methyl-3-phenyl-1,1,2,2-cyclopropanetetracarbonitrile #
Technical Specifications
| Molecular Formula | C14H8N4 |
| Molecular Weight | 232.07489 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.07489 Da |
| Heavy Atoms | 18 |
| Complexity | 498.0 |
| SMILES | CC1(C(C1(C#N)C#N)(C#N)C#N)C2=CC=CC=C2 |
| InChIKey | YIELBGKTWNPVKC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile
Property Insights of 3-Methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile. Following Lipinski's Rule of Five, 3-Methyl-3-phenylcyclopropane-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
What is the CAS number of 3-Methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile?
The CAS number of 3-Methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile is 10444-11-8.
What is the molecular formula of 3-Methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile?
The molecular formula of 3-Methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile is C14H8N4.
What is the molecular weight of 3-Methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile?
The molecular weight of 3-Methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile is 232.07489 g/mol.
Where can I buy 3-Methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile?
You can request a quote for 3-Methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-3-phenylcyclopropane-1,1,2,2-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.