Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro-
TL;DR: Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro- (CAS 21787-89-3) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitroimidazol-1-yl)-3-prop-2-enoxypropan-2-ol
Also Known As: alpha-((Allyloxy)methyl)-2-nitroimidazole-1-ethanol, 1-(2-Nitro-1-imidazolyl)-3-allyloxy-2-propanol, 1-(2-nitroimidazol-1-yl)-3-prop-2-enoxypropan-2-ol, 1(2-OH-3-ALLYLOXYPR)2-NO2IMIDAZOLE, Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro-
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 21787-89-3 |
|---|---|
| SMILES | C=CCOCC(CN1C=CN=C1[N+](=O)[O-])O |
| InChIKey | ZGENSUYRNWPOET-UHFFFAOYSA-N |
Product Overview
Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro- (CAS 21787-89-3), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: 1-(2-nitroimidazol-1-yl)-3-prop-2-enoxypropan-2-ol.
Chemical Property Profile of Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro-
Property Insights of Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro-. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro-. Following Lipinski's Rule of Five, Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro- 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 Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro-?
The CAS number of Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro- is 21787-89-3.
What is the molecular formula of Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro-?
The molecular formula of Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro- is C9H13N3O4.
What is the molecular weight of Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro-?
The molecular weight of Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro- is 227.09 g/mol.
Where can I buy Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro-?
You can request a quote for Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.