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5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one
TL;DR: 5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one (CAS 123533-90-4) is a chemical compound with molecular formula C9H7N3O4 and molecular weight 221.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1-methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one
Also Known As: 2(5H)-Furanone,5-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]-, 5-[(1-methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one, 5-((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)-2(5H)-furanone, 2(5H)-Furanone, 5-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)-
| Molecular Formula | C9H7N3O4 |
|---|---|
| Molecular Weight | 221.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.04366 |
| Heavy Atoms | 16 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 123533-90-4 |
|---|---|
| SMILES | CN1C(=CN=C1C=C2C=CC(=O)O2)[N+](=O)[O-] |
| InChIKey | PNLBIZRYMSYUFN-UHFFFAOYSA-N |
Product Overview
5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one (CAS 123533-90-4), with molecular formula C9H7N3O4 and molecular weight 221.04 g/mol. IUPAC: 5-[(1-methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one.
Chemical Property Profile of 5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one
Property Insights of 5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one. Following Lipinski's Rule of Five, 5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one 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 5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one?
The CAS number of 5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one is 123533-90-4.
What is the molecular formula of 5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one?
The molecular formula of 5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one is C9H7N3O4.
What is the molecular weight of 5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one?
The molecular weight of 5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one is 221.04 g/mol.
Where can I buy 5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one?
You can request a quote for 5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.