Dinitrosocaffeidine
TL;DR: Dinitrosocaffeidine (CAS 145438-97-7) is a chemical compound with molecular formula C7H10N6O3 and molecular weight 226.08144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,3-dimethyl-5-[methyl(nitroso)amino]-N-nitrosoimidazole-4-carboxamide
Also Known As: Dinitrosocaffeidine, N,1-Dimethyl-4-(methylnitrosoamino)-N-nitroso-1H-imidazole-5-carboxamide, 1H-Imidazole-5-carboxamide, N,1-dimethyl-4-(methylnitrosoamino)-N-nitroso-, N,3-dimethyl-5-[methyl(nitroso)amino]-N-nitrosoimidazole-4-carboxamide, N,1-DIMETHYL-N-NITROSO-4-(METHYLNITROSOAMINO)-1H-IMIDAZOLE-5-CARBOXAMIDE
Technical Specifications
| Molecular Formula | C7H10N6O3 |
| Molecular Weight | 226.08144 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.08144 Da |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
| SMILES | CN1C=NC(=C1C(=O)N(C)N=O)N(C)N=O |
| InChIKey | GMZOUDFUPHOZBW-UHFFFAOYSA-N |
Chemical Property Profile of Dinitrosocaffeidine
Property Insights of Dinitrosocaffeidine
The XLogP value of -0.3 indicates that Dinitrosocaffeidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dinitrosocaffeidine. Following Lipinski's Rule of Five, Dinitrosocaffeidine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dinitrosocaffeidine?
The CAS number of Dinitrosocaffeidine is 145438-97-7.
What is the molecular formula of Dinitrosocaffeidine?
The molecular formula of Dinitrosocaffeidine is C7H10N6O3.
What is the molecular weight of Dinitrosocaffeidine?
The molecular weight of Dinitrosocaffeidine is 226.08144 g/mol.
Where can I buy Dinitrosocaffeidine?
You can request a quote for Dinitrosocaffeidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dinitrosocaffeidine?
Yes, CoreyChem provides custom synthesis services for Dinitrosocaffeidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.