![1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one structure](/static/products/3847/38477-77-9.webp)
1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one
TL;DR: 1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one (CAS 38477-77-9) is a chemical compound with molecular formula C9H8N4O4 and molecular weight 236.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(5-nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one
Also Known As: 1-[3-(5-nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one, 1H-1,2,4-Triazole, 3-(5-nitro-2-furanyl)-1-(1-oxopropyl)-, 3-(5-Nitro-2-furyl)-1-propionyl-1H-1,2,4-triazole, 1-[3-(5-nitrofuran-2-yl)-1H-1,2,4-triazol-1-yl]propan-1-one, 3-(5-Nitro-2-furyl)-1-propionyl-1H-1,2,4-triazole #
| Molecular Formula | C9H8N4O4 |
|---|---|
| Molecular Weight | 236.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.05455 |
| Heavy Atoms | 17 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 38477-77-9 |
|---|---|
| SMILES | CCC(=O)N1C=NC(=N1)C2=CC=C(O2)[N+](=O)[O-] |
| InChIKey | GHYSSRNIICRWSW-UHFFFAOYSA-N |
Product Overview
1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one (CAS 38477-77-9), with molecular formula C9H8N4O4 and molecular weight 236.05 g/mol. IUPAC: 1-[3-(5-nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one.
Chemical Property Profile of 1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one
Property Insights of 1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one. Following Lipinski's Rule of Five, 1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one has 0 hydrogen bond donor(s) and 6 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 1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one?
The CAS number of 1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one is 38477-77-9.
What is the molecular formula of 1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one?
The molecular formula of 1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one is C9H8N4O4.
What is the molecular weight of 1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one?
The molecular weight of 1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one is 236.05 g/mol.
Where can I buy 1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one?
You can request a quote for 1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(5-Nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.