1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl-
TL;DR: 1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl- (CAS 13017-67-9) is a chemical compound with molecular formula C9H6N4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylcyclopropane-1,1,2,2-tetracarbonitrile
Also Known As: 3,3-dimethylcyclopropane-1,1,2,2-tetracarbonitrile, 1,1,2,2-Tetracyano-3,3-dimethylcyclopropane, 1,1,2,2-CYCLOPROPANETETRACARBONITRILE, 3,3-DIMETHYL-, 3,3-Dimethyl-1,1,2,2-cyclopropanetetracarbonitrile, 3-09-00-04848 (Beilstein Handbook Reference)
| Molecular Formula | C9H6N4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.05925 |
| Heavy Atoms | 13 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 13017-67-9 |
|---|---|
| SMILES | CC1(C(C1(C#N)C#N)(C#N)C#N)C |
| InChIKey | JIEYOKFTSKQLLP-UHFFFAOYSA-N |
Product Overview
1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl- (CAS 13017-67-9), with molecular formula C9H6N4 and molecular weight 170.06 g/mol. IUPAC: 3,3-dimethylcyclopropane-1,1,2,2-tetracarbonitrile.
Chemical Property Profile of 1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl-
Property Insights of 1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl-. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl-. Following Lipinski's Rule of Five, 1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl- 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 1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl-?
The CAS number of 1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl- is 13017-67-9.
What is the molecular formula of 1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl-?
The molecular formula of 1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl- is C9H6N4.
What is the molecular weight of 1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl-?
The molecular weight of 1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl- is 170.06 g/mol.
Where can I buy 1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl-?
You can request a quote for 1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.