octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate
TL;DR: octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate (CAS 36137-89-0) is a chemical compound with molecular formula C14H25N5O2 and molecular weight 295.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate
Also Known As: NCIOpen2_006731, octyl (5Z)-5-(dimethylaminohydrazinylidene)imidazole-4-carbo, 1H-Imidazole-4-carboxylic acid, 5-(3,3-dimethyl-1-triazenyl)-, octyl ester
| Molecular Formula | C14H25N5O2 |
|---|---|
| Molecular Weight | 295.20 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 295.20084 |
| Heavy Atoms | 21 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 36137-89-0 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=C(N=CN1)N=NN(C)C |
| InChIKey | LISRSHBZPVZYLB-UHFFFAOYSA-N |
Product Overview
octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate (CAS 36137-89-0), with molecular formula C14H25N5O2 and molecular weight 295.20 g/mol. IUPAC: octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate.
Chemical Property Profile of octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate
Property Insights of octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate
The XLogP value of 3.5 indicates that octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate. Following Lipinski's Rule of Five, octyl 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 octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate?
The CAS number of octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate is 36137-89-0.
What is the molecular formula of octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate?
The molecular formula of octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate is C14H25N5O2.
What is the molecular weight of octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate?
The molecular weight of octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate is 295.20 g/mol.
Where can I buy octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate?
You can request a quote for octyl 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 octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for octyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.