1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl-
TL;DR: 1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl- (CAS 100991-89-7) is a chemical compound with molecular formula C17H12Cl2O2 and molecular weight 318.02142 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E)-2-[(3,4-dichlorophenyl)methylidene]-1-phenylbutane-1,3-dione
Also Known As: 2-(3,4-Dichlorobenzylidene)-1-phenyl-1,3-butanedione, 1,3-BUTANEDIONE, 2-(3,4-DICHLOROBENZYLIDENE)-1-PHENYL-, 2-(3,4-dichlorobenzylidene)-1-phenylbutane-1,3-dione, 2-[(3,4-dichlorophenyl)methylidene]-1-phenylbutane-1,3-dione, (2E)-2-[(3,4-dichlorophenyl)methylidene]-1-phenylbutane-1,3-dione
Technical Specifications
| Molecular Formula | C17H12Cl2O2 |
| Molecular Weight | 318.02142 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.02142 Da |
| Heavy Atoms | 21 |
| Complexity | 425.0 |
| SMILES | CC(=O)/C(=C\C1=CC(=C(C=C1)Cl)Cl)/C(=O)C2=CC=CC=C2 |
| InChIKey | YVHUCSJCKCLJEF-NTEUORMPSA-N |
Chemical Property Profile of 1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl-
Property Insights of 1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl-
The XLogP value of 4.8 indicates that 1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl-?
The CAS number of 1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl- is 100991-89-7.
What is the molecular formula of 1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl-?
The molecular formula of 1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl- is C17H12Cl2O2.
What is the molecular weight of 1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl-?
The molecular weight of 1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl- is 318.02142 g/mol.
Where can I buy 1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl-?
You can request a quote for 1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl-?
Yes, CoreyChem provides custom synthesis services for 1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.