ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate
TL;DR: ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate (CAS 36137-88-9) is a chemical compound with molecular formula C8H13N5O2 and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate
Also Known As: NCIOpen2_006456, 5-(3,3-DIMETHYL-1-TRIAZENO)-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
| Molecular Formula | C8H13N5O2 |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.10692 |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 36137-88-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=CN1)N=NN(C)C |
| InChIKey | MXJFBGXKWACYNQ-UHFFFAOYSA-N |
Product Overview
ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate (CAS 36137-88-9), with molecular formula C8H13N5O2 and molecular weight 211.11 g/mol. IUPAC: ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate.
Chemical Property Profile of ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate
Property Insights of ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate 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 ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate?
The CAS number of ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate is 36137-88-9.
What is the molecular formula of ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate?
The molecular formula of ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate is C8H13N5O2.
What is the molecular weight of ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate?
The molecular weight of ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate is 211.11 g/mol.
Where can I buy ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate?
You can request a quote for ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.