1,4-Butanedione, 1-(3-furanyl)-4-phenyl-
TL;DR: 1,4-Butanedione, 1-(3-furanyl)-4-phenyl- (CAS 142896-19-3) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(furan-3-yl)-4-phenylbutane-1,4-dione
Also Known As: 1,4-Butanedione, 1-(3-furanyl)-4-phenyl-, Megastigma-4,6,7-triene-3,9-diol, 1-Phenyl-4-(3-furyl)butane-1,4-dione, 1-(3-furyl)-4-phenyl-butane-1,4-dione, 1-(FURAN-3-YL)-4-PHENYLBUTANE-1,4-DIONE
Technical Specifications
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.07864 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.07864 Da |
| Heavy Atoms | 17 |
| Complexity | 279.0 |
| SMILES | C1=CC=C(C=C1)C(=O)CCC(=O)C2=COC=C2 |
| InChIKey | GYSIFZFYEHDKLG-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Butanedione, 1-(3-furanyl)-4-phenyl-
Property Insights of 1,4-Butanedione, 1-(3-furanyl)-4-phenyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Butanedione, 1-(3-furanyl)-4-phenyl-. With a topological polar surface area (TPSA) of 47.3 Ų, 1,4-Butanedione, 1-(3-furanyl)-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Butanedione, 1-(3-furanyl)-4-phenyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4-Butanedione, 1-(3-furanyl)-4-phenyl-?
The CAS number of 1,4-Butanedione, 1-(3-furanyl)-4-phenyl- is 142896-19-3.
What is the molecular formula of 1,4-Butanedione, 1-(3-furanyl)-4-phenyl-?
The molecular formula of 1,4-Butanedione, 1-(3-furanyl)-4-phenyl- is C14H12O3.
What is the molecular weight of 1,4-Butanedione, 1-(3-furanyl)-4-phenyl-?
The molecular weight of 1,4-Butanedione, 1-(3-furanyl)-4-phenyl- is 228.07864 g/mol.
Where can I buy 1,4-Butanedione, 1-(3-furanyl)-4-phenyl-?
You can request a quote for 1,4-Butanedione, 1-(3-furanyl)-4-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Butanedione, 1-(3-furanyl)-4-phenyl-?
Yes, CoreyChem provides custom synthesis services for 1,4-Butanedione, 1-(3-furanyl)-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.