Metronidazole acetate
TL;DR: Metronidazole acetate (CAS 13182-82-6) is a chemical compound with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-5-nitroimidazol-1-yl)ethyl acetate
Also Known As: Metronidazole acetate, O-Acetylmetronidazole, Metronidazole Impurity 41, Metronidazole Impurity 43, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl acetate
| Molecular Formula | C8H11N3O4 |
|---|---|
| Molecular Weight | 213.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.07495 |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 13182-82-6 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=O)C)[N+](=O)[O-] |
| InChIKey | MQXDTGGRMOLAPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metronidazole acetate (CAS 13182-82-6), with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl acetate.
Chemical Property Profile of Metronidazole acetate
Property Insights of Metronidazole acetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metronidazole acetate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Metronidazole acetate. Following Lipinski's Rule of Five, Metronidazole acetate has 0 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 Metronidazole acetate?
The CAS number of Metronidazole acetate is 13182-82-6.
What is the molecular formula of Metronidazole acetate?
The molecular formula of Metronidazole acetate is C8H11N3O4.
What is the molecular weight of Metronidazole acetate?
The molecular weight of Metronidazole acetate is 213.07 g/mol.
Where can I buy Metronidazole acetate?
You can request a quote for Metronidazole acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metronidazole acetate?
Yes, KEHONG BIO provides custom synthesis services for Metronidazole acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.