甲硝唑
TL;DR: 甲硝唑 (CAS 443-48-1) is a chemical compound with molecular formula C6H9N3O3 and molecular weight 171.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲硝唑
2-(2-methyl-5-nitroimidazol-1-yl)ethanol
Also Known As: metronidazole, Flagyl, Metronidazol, Gineflavir, Deflamon
| Molecular Formula | C6H9N3O3 |
|---|---|
| Molecular Weight | 171.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.06439 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
| Melting Point | 316 to 160.0 °C |
| Boiling Point | 405.4 |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 443-48-1 |
|---|---|
| SMILES | CC1=NC=C(N1CCO)[N+](=O)[O-] |
| InChIKey | VAOCPAMSLUNLGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲硝唑 (CAS 443-48-1), with molecular formula C6H9N3O3 and molecular weight 171.06 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol.
Chemical Property Profile of 甲硝唑
Property Insights of 甲硝唑
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲硝唑. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲硝唑. Following Lipinski's Rule of Five, 甲硝唑 has 1 hydrogen bond donor(s) and 4 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 甲硝唑?
The CAS number of 甲硝唑 is 443-48-1.
What is the molecular formula of 甲硝唑?
The molecular formula of 甲硝唑 is C6H9N3O3.
What is the molecular weight of 甲硝唑?
The molecular weight of 甲硝唑 is 171.06 g/mol.
Where can I buy 甲硝唑?
You can request a quote for 甲硝唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲硝唑?
Yes, KEHONG BIO provides custom synthesis services for 甲硝唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.