2-(1,3-Dioxolan-2-ylidene)propanedinitrile
TL;DR: 2-(1,3-Dioxolan-2-ylidene)propanedinitrile (CAS 5694-65-5) is a chemical compound with molecular formula C6H4N2O2 and molecular weight 136.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxolan-2-ylidene)propanedinitrile
Also Known As: Dicyanoketene ethylene acetal, DCKEA, 2-(1,3-dioxolan-2-ylidene)propanedinitrile, 1,.alpha.-malononitrile, 1, 2-dicyanomethylene-
| Molecular Formula | C6H4N2O2 |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.02728 |
| Heavy Atoms | 10 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 5694-65-5 |
|---|---|
| SMILES | C1COC(=C(C#N)C#N)O1 |
| InChIKey | PWPZBDNODBHUSS-UHFFFAOYSA-N |
Product Overview
2-(1,3-Dioxolan-2-ylidene)propanedinitrile (CAS 5694-65-5), with molecular formula C6H4N2O2 and molecular weight 136.03 g/mol. IUPAC: 2-(1,3-dioxolan-2-ylidene)propanedinitrile.
Chemical Property Profile of 2-(1,3-Dioxolan-2-ylidene)propanedinitrile
Property Insights of 2-(1,3-Dioxolan-2-ylidene)propanedinitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dioxolan-2-ylidene)propanedinitrile. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dioxolan-2-ylidene)propanedinitrile. Following Lipinski's Rule of Five, 2-(1,3-Dioxolan-2-ylidene)propanedinitrile 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 2-(1,3-Dioxolan-2-ylidene)propanedinitrile?
The CAS number of 2-(1,3-Dioxolan-2-ylidene)propanedinitrile is 5694-65-5.
What is the molecular formula of 2-(1,3-Dioxolan-2-ylidene)propanedinitrile?
The molecular formula of 2-(1,3-Dioxolan-2-ylidene)propanedinitrile is C6H4N2O2.
What is the molecular weight of 2-(1,3-Dioxolan-2-ylidene)propanedinitrile?
The molecular weight of 2-(1,3-Dioxolan-2-ylidene)propanedinitrile is 136.03 g/mol.
Where can I buy 2-(1,3-Dioxolan-2-ylidene)propanedinitrile?
You can request a quote for 2-(1,3-Dioxolan-2-ylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dioxolan-2-ylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxolan-2-ylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.