4-(3-Octadecan-4-ylphenyl)-4-oxobut-2-enoic acid
TL;DR: 4-(3-Octadecan-4-ylphenyl)-4-oxobut-2-enoic acid (CAS 133800-88-1) is a chemical compound with molecular formula C28H44O3 and molecular weight 428.32904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-octadecan-4-ylphenyl)-4-oxobut-2-enoic acid
Also Known As: 3-(4-Octadecyl)benzoylacrylic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C28H44O3 |
| Molecular Weight | 428.32904 g/mol |
| XLogP | 10.6 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Exact Mass | 428.32904 Da |
| Heavy Atoms | 31 |
| Complexity | 496.0 |
| SMILES | CCCCCCCCCCCCCCC(CCC)C1=CC(=CC=C1)C(=O)C=CC(=O)O |
| InChIKey | OLTDVZPGSDCOGR-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Octadecan-4-ylphenyl)-4-oxobut-2-enoic acid
Property Insights of 4-(3-Octadecan-4-ylphenyl)-4-oxobut-2-enoic acid
The XLogP value of 10.6 indicates that 4-(3-Octadecan-4-ylphenyl)-4-oxobut-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(3-Octadecan-4-ylphenyl)-4-oxobut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Octadecan-4-ylphenyl)-4-oxobut-2-enoic acid has 1 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-Octadecan-4-ylphenyl)-4-oxobut-2-enoic acid?
The CAS number of 4-(3-Octadecan-4-ylphenyl)-4-oxobut-2-enoic acid is 133800-88-1.
What is the molecular formula of 4-(3-Octadecan-4-ylphenyl)-4-oxobut-2-enoic acid?
The molecular formula of 4-(3-Octadecan-4-ylphenyl)-4-oxobut-2-enoic acid is C28H44O3.
What is the molecular weight of 4-(3-Octadecan-4-ylphenyl)-4-oxobut-2-enoic acid?
The molecular weight of 4-(3-Octadecan-4-ylphenyl)-4-oxobut-2-enoic acid is 428.32904 g/mol.
Where can I buy 4-(3-Octadecan-4-ylphenyl)-4-oxobut-2-enoic acid?
You can request a quote for 4-(3-Octadecan-4-ylphenyl)-4-oxobut-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Octadecan-4-ylphenyl)-4-oxobut-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(3-Octadecan-4-ylphenyl)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.