4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole
TL;DR: 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole (CAS 41459-10-3) is a chemical compound with molecular formula C9H15N5O2 and molecular weight 225.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(dimethylaminodiazenyl)-2-methyl-1H-imidazole-5-carboxylate
Also Known As: 4-carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole, 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methylimidazole, ethyl (5E)-5-(dimethylaminohydrazinylidene)-2-methylimidazol, Ethyl 4-(dimethylaminodiazenyl)-2-methyl-1H-imidazole-5-carboxylate
| Molecular Formula | C9H15N5O2 |
|---|---|
| Molecular Weight | 225.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.12257 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 41459-10-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(N1)C)N=NN(C)C |
| InChIKey | NUEUPPUYXCLQHE-UHFFFAOYSA-N |
Product Overview
4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole (CAS 41459-10-3), with molecular formula C9H15N5O2 and molecular weight 225.12 g/mol. IUPAC: ethyl 4-(dimethylaminodiazenyl)-2-methyl-1H-imidazole-5-carboxylate.
Chemical Property Profile of 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole
Property Insights of 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole. Following Lipinski's Rule of Five, 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole has 1 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 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole?
The CAS number of 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole is 41459-10-3.
What is the molecular formula of 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole?
The molecular formula of 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole is C9H15N5O2.
What is the molecular weight of 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole?
The molecular weight of 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole is 225.12 g/mol.
Where can I buy 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole?
You can request a quote for 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methyl imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.