4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one
TL;DR: 4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one (CAS 1164482-59-0) is a chemical compound with molecular formula C18H17NO2S and molecular weight 311.098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-4-[(5-butylthiophen-2-yl)methylidene]-3-phenyl-1,2-oxazol-5-one
Also Known As: BAS 00609507, BIM-0026977.P001, 4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one, (4E)-4-[(5-butylthiophen-2-yl)methylidene]-3-phenyl-1,2-oxazol-5-one, 4-[(5-butyl-2-thienyl)methylene]-3-phenyl-5(4H)-isoxazolone
Technical Specifications
| Molecular Formula | C18H17NO2S |
| Molecular Weight | 311.098 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.098 Da |
| Heavy Atoms | 22 |
| Complexity | 466.0 |
| SMILES | CCCCC1=CC=C(S1)/C=C/2\C(=NOC2=O)C3=CC=CC=C3 |
| InChIKey | BQFOFECRZIVUKU-FOWTUZBSSA-N |
Chemical Property Profile of 4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one
Property Insights of 4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one
The XLogP value of 5.3 indicates that 4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one. Following Lipinski's Rule of Five, 4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one?
The CAS number of 4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one is 1164482-59-0.
What is the molecular formula of 4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one?
The molecular formula of 4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one is C18H17NO2S.
What is the molecular weight of 4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one?
The molecular weight of 4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one is 311.098 g/mol.
Where can I buy 4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one?
You can request a quote for 4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one?
Yes, CoreyChem provides custom synthesis services for 4-(5-Butyl-thiophen-2-ylmethylene)-3-phenyl-4H-isoxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.