Nitramisole
TL;DR: Nitramisole (CAS 6646-49-7) is a chemical compound with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-nitrophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
Also Known As: Nitramisole, Nitramisol, Nitramisolum, Nitramisole [INN], Nitramisole [WHO-DD]
| Molecular Formula | C11H11N3O2S |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.0572 |
| Heavy Atoms | 17 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 6646-49-7 |
|---|---|
| SMILES | C1CSC2=NC(CN21)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | RFAYUIIWPKWNKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitramisole (CAS 6646-49-7), with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol. IUPAC: 6-(3-nitrophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.
Chemical Property Profile of Nitramisole
Property Insights of Nitramisole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitramisole. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitramisole. Following Lipinski's Rule of Five, Nitramisole has 0 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 Nitramisole?
The CAS number of Nitramisole is 6646-49-7.
What is the molecular formula of Nitramisole?
The molecular formula of Nitramisole is C11H11N3O2S.
What is the molecular weight of Nitramisole?
The molecular weight of Nitramisole is 249.06 g/mol.
Where can I buy Nitramisole?
You can request a quote for Nitramisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitramisole?
Yes, KEHONG BIO provides custom synthesis services for Nitramisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.