alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol
TL;DR: alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol (CAS 74550-94-0) is a chemical compound with molecular formula C11H20N4O3 and molecular weight 256.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diethylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
Also Known As: J1.586.776K, 1-(diethylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol, alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol, 1-(diethylamino)-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol, Guanidine, (4,5-dipropyl-2-oxazolyl)-, monohydrochloride
| Molecular Formula | C11H20N4O3 |
|---|---|
| Molecular Weight | 256.15 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.15353 |
| Heavy Atoms | 18 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 74550-94-0 |
|---|---|
| SMILES | CCN(CC)CC(CN1C(=NC=C1[N+](=O)[O-])C)O |
| InChIKey | ILEJYJAIYUJGMJ-UHFFFAOYSA-N |
Product Overview
alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol (CAS 74550-94-0), with molecular formula C11H20N4O3 and molecular weight 256.15 g/mol. IUPAC: 1-(diethylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol.
Chemical Property Profile of alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol
Property Insights of alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol
The XLogP value of -0.1 indicates that alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol. Following Lipinski's Rule of Five, alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol 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
Frequently Asked Questions
What is the CAS number of alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol?
The CAS number of alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol is 74550-94-0.
What is the molecular formula of alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol?
The molecular formula of alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol is C11H20N4O3.
What is the molecular weight of alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol?
The molecular weight of alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol is 256.15 g/mol.
Where can I buy alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol?
You can request a quote for alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol?
Yes, KEHONG BIO provides custom synthesis services for alpha-((Diethylamino)methyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.