![2-(2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethanol structure](/static/products/780/78087-47-5.png)
2-(2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethanol
TL;DR: 2-(2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethanol (CAS 78087-47-5) 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-[(E)-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-, 2-[2-(1,3-Benzodioxol-5-yl)ethenyl]-5-nitro-1H-imidazole-1-ethanol, 1H-IMIDAZOLE-1-ETHANOL, 2-[2-(1,3-BENZODIOXOL-5-, 2-{2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-nitro-1h-imidazol-1-yl}ethanol
| Molecular Formula | C14H13N3O5 |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 1.6827 |
| Topological Polar Surface Area | 99.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.0855 |
| Heavy Atoms | 22 |
| Complexity | 738.0747 |
Chemical Identifiers
| CAS Number | 78087-47-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC=C(N3CCO)[N+](=O)[O-] |
Product Overview
2-(2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethanol (CAS 78087-47-5), with molecular formula C14H13N3O5 and molecular weight 303.09 g/mol. IUPAC: 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-nitroimidazol-1-yl]ethanol.
Chemical Property Profile of 2-(2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethanol
Property Insights of 2-(2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethanol
The XLogP value of 1.6827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethanol. The TPSA of 99.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethanol. Following Lipinski's Rule of Five, 2-(2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)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-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethanol?
The CAS number of 2-(2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethanol is 78087-47-5.
What is the molecular formula of 2-(2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethanol?
The molecular formula of 2-(2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethanol is C14H13N3O5.
What is the molecular weight of 2-(2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethanol?
The molecular weight of 2-(2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethanol is 303.09 g/mol.
Where can I buy 2-(2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethanol?
You can request a quote for 2-(2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)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-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.