4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate
TL;DR: 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate (CAS 111965-04-9) is a chemical compound with molecular formula C23H18O3 and molecular weight 342.12558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-methylbenzoate
Also Known As: 4-(3-oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate, [4-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-methylbenzoate
Technical Specifications
| Molecular Formula | C23H18O3 |
| Molecular Weight | 342.12558 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.12558 Da |
| Heavy Atoms | 26 |
| Complexity | 488.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=CC(=O)C3=CC=CC=C3 |
| InChIKey | NKZWWLYMFCSYQB-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate
Property Insights of 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate
The XLogP value of 5.5 indicates that 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate?
The CAS number of 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate is 111965-04-9.
What is the molecular formula of 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate?
The molecular formula of 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate is C23H18O3.
What is the molecular weight of 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate?
The molecular weight of 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate is 342.12558 g/mol.
Where can I buy 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate?
You can request a quote for 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate?
Yes, CoreyChem provides custom synthesis services for 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.