3-Bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid
TL;DR: 3-Bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid (CAS 42241-78-1) is a chemical compound with molecular formula C15H17BrO4 and molecular weight 340.031 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid
Also Known As: Penberol, 3-bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid, (E)-3-Bromo-4-oxo-4-(4-(pentyloxy)phenyl)-2-butenoic acid, 2-Butenoic acid,3-bromo-4-oxo-4-[4-(pentyloxy)phenyl]-, 2-Butenoic acid, 3-bromo-4-oxo-4-[4-(pentyloxy)phenyl]-, (E)
Technical Specifications
| Molecular Formula | C15H17BrO4 |
| Molecular Weight | 340.031 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 340.031 Da |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
| SMILES | CCCCCOC1=CC=C(C=C1)C(=O)C(=CC(=O)O)Br |
| InChIKey | KPUGJSNAPAAEJB-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid
Property Insights of 3-Bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid
The XLogP value of 4.0 indicates that 3-Bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid. Following Lipinski's Rule of Five, 3-Bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid has 1 hydrogen bond donor(s) and 4 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-Bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid?
The CAS number of 3-Bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid is 42241-78-1.
What is the molecular formula of 3-Bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid?
The molecular formula of 3-Bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid is C15H17BrO4.
What is the molecular weight of 3-Bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid?
The molecular weight of 3-Bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid is 340.031 g/mol.
Where can I buy 3-Bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid?
You can request a quote for 3-Bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.