Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate
TL;DR: Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate (CAS 91823-57-3) is a chemical compound with molecular formula C13H10N4O4 and molecular weight 286.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate
Also Known As: diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate, 1,1,2,2-Tetracyan-cyclopropandicarbonsaeure-diethylester
| Molecular Formula | C13H10N4O4 |
|---|---|
| Molecular Weight | 286.07 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.0702 |
| Heavy Atoms | 21 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 91823-57-3 |
|---|---|
| SMILES | CCOC(=O)C1(C(C1(C#N)C#N)(C#N)C#N)C(=O)OCC |
| InChIKey | OWTIAOSIPUDBKX-UHFFFAOYSA-N |
Product Overview
Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate (CAS 91823-57-3), with molecular formula C13H10N4O4 and molecular weight 286.07 g/mol. IUPAC: diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate.
Chemical Property Profile of Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate
Property Insights of Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate
The XLogP value of -0.5 indicates that Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 148.0 Ų indicates high polarity, suggesting Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate has 0 hydrogen bond donor(s) and 8 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 Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate?
The CAS number of Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate is 91823-57-3.
What is the molecular formula of Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate?
The molecular formula of Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate is C13H10N4O4.
What is the molecular weight of Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate?
The molecular weight of Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate is 286.07 g/mol.
Where can I buy Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate?
You can request a quote for Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2,3,3-tetracyanocyclopropane-1,1-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.