Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate
TL;DR: Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate (CAS 24155-39-3) is a chemical compound with molecular formula C12H13N3O5 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-imidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone nitrate
Also Known As: N-(4-Methoxyphenacyl)imidazole nitrate, ACETOPHENONE, 2-(1-IMIDAZOLYL)-4'-METHOXY-, NITRATE, ACETOPHENONE,2-(1-IMIDAZOLYL)-4'-METHOXY-,NITRATE, 2-(1H-imidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone nitrate, RefChem:1075912
| Molecular Formula | C12H13N3O5 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 0.04 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.0855 |
| Heavy Atoms | 20 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 24155-39-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C[NH+]2C=CN=C2.[N+](=O)([O-])[O-] |
| InChIKey | IMHJHBQYKOTFIG-UHFFFAOYSA-O |
Product Overview
Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate (CAS 24155-39-3), with molecular formula C12H13N3O5 and molecular weight 279.09 g/mol. IUPAC: 2-(1H-imidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone nitrate.
Chemical Property Profile of Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate
Property Insights of Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate
The XLogP value of 0.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate. Following Lipinski's Rule of Five, Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate 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 Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate?
The CAS number of Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate is 24155-39-3.
What is the molecular formula of Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate?
The molecular formula of Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate is C12H13N3O5.
What is the molecular weight of Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate?
The molecular weight of Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate is 279.09 g/mol.
Where can I buy Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate?
You can request a quote for Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.