3-Buten-2-one, 4-(2-furanyl)-3-nitro-
TL;DR: 3-Buten-2-one, 4-(2-furanyl)-3-nitro- (CAS 58371-75-8) 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.
4-(furan-2-yl)-3-nitrobut-3-en-2-one
Also Known As: 4-(furan-2-yl)-3-nitrobut-3-en-2-one, 3-Buten-2-one, 4-(2-furanyl)-3-nitro-, 1-acetyl-1-nitro-2-(2-furyl)ethene, 4-(2-furyl)-3-nitro-but-3-en-2-one, 4-furan-2-yl-3-nitro-but-3-en-2-one
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 1.4862 |
| 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 | 334.23074 |
Chemical Identifiers
| CAS Number | 58371-75-8 |
|---|---|
| SMILES | CC(=O)C(=CC1=CC=CO1)[N+](=O)[O-] |
Product Overview
3-Buten-2-one, 4-(2-furanyl)-3-nitro- (CAS 58371-75-8), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 4-(furan-2-yl)-3-nitrobut-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4-(2-furanyl)-3-nitro-
Property Insights of 3-Buten-2-one, 4-(2-furanyl)-3-nitro-
The XLogP value of 1.4862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 4-(2-furanyl)-3-nitro-. The TPSA of 73.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Buten-2-one, 4-(2-furanyl)-3-nitro-. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-(2-furanyl)-3-nitro- 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-(2-furanyl)-3-nitro-?
The CAS number of 3-Buten-2-one, 4-(2-furanyl)-3-nitro- is 58371-75-8.
What is the molecular formula of 3-Buten-2-one, 4-(2-furanyl)-3-nitro-?
The molecular formula of 3-Buten-2-one, 4-(2-furanyl)-3-nitro- is C8H7NO4.
What is the molecular weight of 3-Buten-2-one, 4-(2-furanyl)-3-nitro-?
The molecular weight of 3-Buten-2-one, 4-(2-furanyl)-3-nitro- is 181.04 g/mol.
Where can I buy 3-Buten-2-one, 4-(2-furanyl)-3-nitro-?
You can request a quote for 3-Buten-2-one, 4-(2-furanyl)-3-nitro- 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-(2-furanyl)-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-(2-furanyl)-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.