3,3'-(Ethylenedioxy)dipropiononitrile
TL;DR: 3,3'-(Ethylenedioxy)dipropiononitrile (CAS 3386-87-6) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2-cyanoethoxy)ethoxy]propanenitrile
Also Known As: 1,2-Bis(2-cyanoethoxy)ethane, Ethylene glycol bis(propionitrile) ether, 3,3'-(Ethylenedioxy)dipropionitrile, 3,3'-(Ethylenedioxy)dipropiononitrile, Dansylamidohexamethylamine
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 3386-87-6 |
|---|---|
| SMILES | C(COCCOCCC#N)C#N |
| InChIKey | VTHRQKSLPFJQHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-(Ethylenedioxy)dipropiononitrile (CAS 3386-87-6), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 3-[2-(2-cyanoethoxy)ethoxy]propanenitrile.
Chemical Property Profile of 3,3'-(Ethylenedioxy)dipropiononitrile
Property Insights of 3,3'-(Ethylenedioxy)dipropiononitrile
The XLogP value of -0.7 indicates that 3,3'-(Ethylenedioxy)dipropiononitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(Ethylenedioxy)dipropiononitrile. Following Lipinski's Rule of Five, 3,3'-(Ethylenedioxy)dipropiononitrile 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 3,3'-(Ethylenedioxy)dipropiononitrile?
The CAS number of 3,3'-(Ethylenedioxy)dipropiononitrile is 3386-87-6.
What is the molecular formula of 3,3'-(Ethylenedioxy)dipropiononitrile?
The molecular formula of 3,3'-(Ethylenedioxy)dipropiononitrile is C8H12N2O2.
What is the molecular weight of 3,3'-(Ethylenedioxy)dipropiononitrile?
The molecular weight of 3,3'-(Ethylenedioxy)dipropiononitrile is 168.09 g/mol.
Where can I buy 3,3'-(Ethylenedioxy)dipropiononitrile?
You can request a quote for 3,3'-(Ethylenedioxy)dipropiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(Ethylenedioxy)dipropiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(Ethylenedioxy)dipropiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.