Metronidazole Benzoate
TL;DR: Metronidazole Benzoate (CAS 13182-89-3) is a chemical compound with molecular formula C13H13N3O4 and molecular weight 275.09 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 benzoate
Also Known As: Metronidazole benzoate, Benzoyl metronidazole, Benzoylmetronidazole, Benzoylmetronildazole, Klion suspension
| Molecular Formula | C13H13N3O4 |
|---|---|
| Molecular Weight | 275.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.0906 |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 13182-89-3 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=O)C2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | CUUCCLJJOWSASK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metronidazole Benzoate (CAS 13182-89-3), with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl benzoate.
Chemical Property Profile of Metronidazole Benzoate
Property Insights of Metronidazole Benzoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metronidazole Benzoate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Metronidazole Benzoate. Following Lipinski's Rule of Five, Metronidazole Benzoate 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 Benzoate?
The CAS number of Metronidazole Benzoate is 13182-89-3.
What is the molecular formula of Metronidazole Benzoate?
The molecular formula of Metronidazole Benzoate is C13H13N3O4.
What is the molecular weight of Metronidazole Benzoate?
The molecular weight of Metronidazole Benzoate is 275.09 g/mol.
Where can I buy Metronidazole Benzoate?
You can request a quote for Metronidazole Benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metronidazole Benzoate?
Yes, KEHONG BIO provides custom synthesis services for Metronidazole Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.