3-Oxo-2,4-diphenylbutanal
TL;DR: 3-Oxo-2,4-diphenylbutanal (CAS 123319-91-5) is a chemical compound with molecular formula C16H14O2 and molecular weight 238.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-oxo-2,4-diphenylbutanal
Also Known As: 3-oxo-2,4-diphenylbutanal, 3-oxo-2,4-diphenyl-butanal, 2,4-diphenyl-3-oxobutyraldehyde
Technical Specifications
| Molecular Formula | C16H14O2 |
| Molecular Weight | 238.09938 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.09938 Da |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
| SMILES | C1=CC=C(C=C1)CC(=O)C(C=O)C2=CC=CC=C2 |
| InChIKey | IZFGSRBIUVGIMT-UHFFFAOYSA-N |
Chemical Property Profile of 3-Oxo-2,4-diphenylbutanal
Property Insights of 3-Oxo-2,4-diphenylbutanal
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-2,4-diphenylbutanal. With a topological polar surface area (TPSA) of 34.1 Ų, 3-Oxo-2,4-diphenylbutanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-2,4-diphenylbutanal 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 3-Oxo-2,4-diphenylbutanal?
The CAS number of 3-Oxo-2,4-diphenylbutanal is 123319-91-5.
What is the molecular formula of 3-Oxo-2,4-diphenylbutanal?
The molecular formula of 3-Oxo-2,4-diphenylbutanal is C16H14O2.
What is the molecular weight of 3-Oxo-2,4-diphenylbutanal?
The molecular weight of 3-Oxo-2,4-diphenylbutanal is 238.09938 g/mol.
Where can I buy 3-Oxo-2,4-diphenylbutanal?
You can request a quote for 3-Oxo-2,4-diphenylbutanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Oxo-2,4-diphenylbutanal?
Yes, CoreyChem provides custom synthesis services for 3-Oxo-2,4-diphenylbutanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.