4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid
TL;DR: 4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid (CAS 134531-42-3) 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-(4-octadecylphenyl)-4-oxobut-2-enoic acid
Also Known As: OBAA, 4-(4-octadecylphenyl)-4-oxobut-2-enoic acid, KBio2_000324, KBio2_002892, KBio2_005460
Technical Specifications
| Molecular Formula | C28H44O3 |
| Molecular Weight | 428.32904 g/mol |
| XLogP | 10.8 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 428.32904 Da |
| Heavy Atoms | 31 |
| Complexity | 475.0 |
| SMILES | CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C=CC(=O)O |
| InChIKey | ZBESASFHIWDSCJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid
Property Insights of 4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid
The XLogP value of 10.8 indicates that 4-(4-Octadecylphenyl)-4-oxo-2-butenoic 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-(4-Octadecylphenyl)-4-oxo-2-butenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Octadecylphenyl)-4-oxo-2-butenoic 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-(4-Octadecylphenyl)-4-oxo-2-butenoic acid?
The CAS number of 4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid is 134531-42-3.
What is the molecular formula of 4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid?
The molecular formula of 4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid is C28H44O3.
What is the molecular weight of 4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid?
The molecular weight of 4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid is 428.32904 g/mol.
Where can I buy 4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid?
You can request a quote for 4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.