5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 100981-11-1) is a chemical compound with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-imidazolidin-2-ylidene-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: J1.381.260H, 5-(2-imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, AF-615/31154050, 5-imidazolidin-2-ylidene-2,2-dimethyl-1,3-dioxane-4,6-dione, 2,2-Dimethyl-5-(imidazolidine-2-ylidene)-1,3-dioxane-4,6-dione
| Molecular Formula | C9H12N2O4 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | -0.7731 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.07971 |
| Heavy Atoms | 15 |
| Complexity | 329.12384 |
Chemical Identifiers
| CAS Number | 100981-11-1 |
|---|---|
| SMILES | CC1(OC(=O)C(=C2NCCN2)C(=O)O1)C |
Product Overview
5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 100981-11-1), with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol. IUPAC: 5-imidazolidin-2-ylidene-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of -0.7731 indicates that 5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione has 2 hydrogen bond donor(s) and 6 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 5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 100981-11-1.
What is the molecular formula of 5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is C9H12N2O4.
What is the molecular weight of 5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 212.08 g/mol.
Where can I buy 5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Imidazolidinylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.