Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate
TL;DR: Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate (CAS 24650-63-3) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,2,2-tricyano-3,3-dimethylcyclopropane-1-carboxylate
Also Known As: NCIOpen2_006617, ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate, ethyl 1,2,2-tricyano-3,3-dimethylcyclopropane-1-carboxylate, 1,2,2-Tricyan-3,3-dimethyl-cyclopropancarbonsaeure-aethylester, Cyclopropanecarboxylicacid, 1,2,2-tricyano-3,3-dimethyl-, ethyl ester
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 24650-63-3 |
|---|---|
| SMILES | CCOC(=O)C1(C(C1(C#N)C#N)(C)C)C#N |
| InChIKey | RLFHBAXSRXSCHB-UHFFFAOYSA-N |
Product Overview
Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate (CAS 24650-63-3), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: ethyl 1,2,2-tricyano-3,3-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate
Property Insights of Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate. Following Lipinski's Rule of Five, Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate 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 Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate?
The CAS number of Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate is 24650-63-3.
What is the molecular formula of Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate?
The molecular formula of Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate is C11H11N3O2.
What is the molecular weight of Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate?
The molecular weight of Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate is 217.09 g/mol.
Where can I buy Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate?
You can request a quote for Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.