3-Buten-2-one, 4-(5-nitro-2-furanyl)-
TL;DR: 3-Buten-2-one, 4-(5-nitro-2-furanyl)- (CAS 73866-77-0) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(5-nitrofuran-2-yl)but-3-en-2-one
Also Known As: 4-(5-Nitro-2-furyl)-3-butene-2-one, HknBAHABvISdfyWV[fijYdDC@, 3-Buten-2-one, 4-(5-nitro-2-furanyl)-, 4-(5-nitrofuran-2-yl)but-3-en-2-one, (E)-4-(5-nitrofuran-2-yl)but-3-en-2-one
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 1.79 |
| Topological Polar Surface Area | 73.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 363.97586 |
Chemical Identifiers
| CAS Number | 73866-77-0 |
|---|---|
| SMILES | CC(=O)/C=C/C1=CC=C(O1)[N+](=O)[O-] |
Product Overview
3-Buten-2-one, 4-(5-nitro-2-furanyl)- (CAS 73866-77-0), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: (E)-4-(5-nitrofuran-2-yl)but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4-(5-nitro-2-furanyl)-
Property Insights of 3-Buten-2-one, 4-(5-nitro-2-furanyl)-
The XLogP value of 1.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 4-(5-nitro-2-furanyl)-. The TPSA of 73.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Buten-2-one, 4-(5-nitro-2-furanyl)-. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-(5-nitro-2-furanyl)- 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 3-Buten-2-one, 4-(5-nitro-2-furanyl)-?
The CAS number of 3-Buten-2-one, 4-(5-nitro-2-furanyl)- is 73866-77-0.
What is the molecular formula of 3-Buten-2-one, 4-(5-nitro-2-furanyl)-?
The molecular formula of 3-Buten-2-one, 4-(5-nitro-2-furanyl)- is C8H7NO4.
What is the molecular weight of 3-Buten-2-one, 4-(5-nitro-2-furanyl)-?
The molecular weight of 3-Buten-2-one, 4-(5-nitro-2-furanyl)- is 181.04 g/mol.
Where can I buy 3-Buten-2-one, 4-(5-nitro-2-furanyl)-?
You can request a quote for 3-Buten-2-one, 4-(5-nitro-2-furanyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 4-(5-nitro-2-furanyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-(5-nitro-2-furanyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.