1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine
TL;DR: 1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine (CAS 26480-02-4) is a chemical compound with molecular formula C11H14N4O2 and molecular weight 234.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile
Also Known As: 2-Methyl-3-hexyn-2-ol, J1.399.684I, 1,3-bis (2-cyanoethyl)-5,5-dimethylhydantoin, 1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine, 4,4-Dimethyl-2,5-dioxo-1,3-imidazolidinedipropionitrile
| Molecular Formula | C11H14N4O2 |
|---|---|
| Molecular Weight | 234.11 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.11168 |
| Heavy Atoms | 17 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 26480-02-4 |
|---|---|
| SMILES | CC1(C(=O)N(C(=O)N1CCC#N)CCC#N)C |
| InChIKey | KRCXCJUMIUAVKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine (CAS 26480-02-4), with molecular formula C11H14N4O2 and molecular weight 234.11 g/mol. IUPAC: 3-[3-(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile.
Chemical Property Profile of 1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine
Property Insights of 1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine
The XLogP value of -0.7 indicates that 1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine. Following Lipinski's Rule of Five, 1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine 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 1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine?
The CAS number of 1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine is 26480-02-4.
What is the molecular formula of 1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine?
The molecular formula of 1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine is C11H14N4O2.
What is the molecular weight of 1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine?
The molecular weight of 1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine is 234.11 g/mol.
Where can I buy 1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine?
You can request a quote for 1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.