2-(1-咪唑基)苯乙酮硝酸盐
TL;DR: 2-(1-咪唑基)苯乙酮硝酸盐 (CAS 97805-08-8) is a chemical compound with molecular formula C11H11N3O4 and molecular weight 249.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-咪唑基)苯乙酮硝酸盐
2-(1H-imidazol-1-ium-1-yl)-1-phenylethanone nitrate
Also Known As: N-Phenylacylimidazole nitrate, ACETOPHENONE, 2-(1-IMIDAZOLYL)-, NITRATE, ACETOPHENONE,2-(1-IMIDAZOLYL)-,NITRATE, 2-(1H-imidazol-1-ium-1-yl)-1-phenylethanone nitrate, RefChem:1075909
| Molecular Formula | C11H11N3O4 |
|---|---|
| Molecular Weight | 249.07 g/mol |
| LogP | 0.03 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.07495 |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 97805-08-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C[NH+]2C=CN=C2.[N+](=O)([O-])[O-] |
| InChIKey | MATZBXZUSOMCFL-UHFFFAOYSA-O |
Product Overview
2-(1-咪唑基)苯乙酮硝酸盐 (CAS 97805-08-8), with molecular formula C11H11N3O4 and molecular weight 249.07 g/mol. IUPAC: 2-(1H-imidazol-1-ium-1-yl)-1-phenylethanone nitrate.
Chemical Property Profile of 2-(1-咪唑基)苯乙酮硝酸盐
Property Insights of 2-(1-咪唑基)苯乙酮硝酸盐
The XLogP value of 0.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-咪唑基)苯乙酮硝酸盐. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-咪唑基)苯乙酮硝酸盐. Following Lipinski's Rule of Five, 2-(1-咪唑基)苯乙酮硝酸盐 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 2-(1-咪唑基)苯乙酮硝酸盐?
The CAS number of 2-(1-咪唑基)苯乙酮硝酸盐 is 97805-08-8.
What is the molecular formula of 2-(1-咪唑基)苯乙酮硝酸盐?
The molecular formula of 2-(1-咪唑基)苯乙酮硝酸盐 is C11H11N3O4.
What is the molecular weight of 2-(1-咪唑基)苯乙酮硝酸盐?
The molecular weight of 2-(1-咪唑基)苯乙酮硝酸盐 is 249.07 g/mol.
Where can I buy 2-(1-咪唑基)苯乙酮硝酸盐?
You can request a quote for 2-(1-咪唑基)苯乙酮硝酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-咪唑基)苯乙酮硝酸盐?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-咪唑基)苯乙酮硝酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.