2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol
TL;DR: 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol (CAS 74550-86-0) is a chemical compound with molecular formula C14H13N3O5 and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-nitroimidazol-1-yl]ethanol
Also Known As: DA 3832, 1h-imidazole-1-ethanol,2-(2-5-nitro-, 1H-Imidazole-1-ethanol, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-5-nitro-, 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol, 2-[2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-nitroimidazol-1-yl]ethanol
| Molecular Formula | C14H13N3O5 |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.0855 |
| Heavy Atoms | 22 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 74550-86-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=CC3=NC=C(N3CCO)[N+](=O)[O-] |
| InChIKey | BVVIKCLECBDUPE-UHFFFAOYSA-N |
Product Overview
2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol (CAS 74550-86-0), with molecular formula C14H13N3O5 and molecular weight 303.09 g/mol. IUPAC: 2-[2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-nitroimidazol-1-yl]ethanol.
Chemical Property Profile of 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol
Property Insights of 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol. Following Lipinski's Rule of Five, 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol 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 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol?
The CAS number of 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol is 74550-86-0.
What is the molecular formula of 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol?
The molecular formula of 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol is C14H13N3O5.
What is the molecular weight of 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol?
The molecular weight of 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol is 303.09 g/mol.
Where can I buy 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol?
You can request a quote for 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-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 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.