Mononitrosocaffeidine
TL;DR: Mononitrosocaffeidine (CAS 145438-96-6) is a chemical compound with molecular formula C7H11N5O2 and molecular weight 197.09128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,3-dimethyl-5-[methyl(nitroso)amino]imidazole-4-carboxamide
Also Known As: Mononitrosocaffeidine, Nitroso-Caffeidine, N-Nitroso Caffeidine, N-Nitroso Caffeine EP Impurity E, N,1-dimethyl-4-[methyl(nitroso)amino]-1H-imidazole-5-carboxamide
Technical Specifications
| Molecular Formula | C7H11N5O2 |
| Molecular Weight | 197.09128 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 79.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.09128 Da |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
| SMILES | CNC(=O)C1=C(N=CN1C)N(C)N=O |
| InChIKey | YVJMGYAIELXOQU-UHFFFAOYSA-N |
Chemical Property Profile of Mononitrosocaffeidine
Property Insights of Mononitrosocaffeidine
The XLogP value of -0.2 indicates that Mononitrosocaffeidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Mononitrosocaffeidine. Following Lipinski's Rule of Five, Mononitrosocaffeidine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Mononitrosocaffeidine?
The CAS number of Mononitrosocaffeidine is 145438-96-6.
What is the molecular formula of Mononitrosocaffeidine?
The molecular formula of Mononitrosocaffeidine is C7H11N5O2.
What is the molecular weight of Mononitrosocaffeidine?
The molecular weight of Mononitrosocaffeidine is 197.09128 g/mol.
Where can I buy Mononitrosocaffeidine?
You can request a quote for Mononitrosocaffeidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mononitrosocaffeidine?
Yes, CoreyChem provides custom synthesis services for Mononitrosocaffeidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.