4-Oxo-4-(tridecyloxy)but-2-enoic acid
TL;DR: 4-Oxo-4-(tridecyloxy)but-2-enoic acid (CAS 93762-26-6) is a chemical compound with molecular formula C17H30O4 and molecular weight 298.21442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxo-4-tridecoxybut-2-enoic acid
Also Known As: 1-Tridecyl 2-butenedioate, tridecylhydrogen2-butenedioate, Tridecyl hydrogen 2-butenedioate, 4-OXO-4-(TRIDECYLOXY)BUT-2-ENOIC ACID
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H30O4 |
| Molecular Weight | 298.21442 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 298.21442 Da |
| Heavy Atoms | 21 |
| Complexity | 297.0 |
| SMILES | CCCCCCCCCCCCCOC(=O)C=CC(=O)O |
| InChIKey | FGACNJFGXDUISO-UHFFFAOYSA-N |
Chemical Property Profile of 4-Oxo-4-(tridecyloxy)but-2-enoic acid
Property Insights of 4-Oxo-4-(tridecyloxy)but-2-enoic acid
The XLogP value of 5.9 indicates that 4-Oxo-4-(tridecyloxy)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 4-Oxo-4-(tridecyloxy)but-2-enoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-(tridecyloxy)but-2-enoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-Oxo-4-(tridecyloxy)but-2-enoic acid?
The CAS number of 4-Oxo-4-(tridecyloxy)but-2-enoic acid is 93762-26-6.
What is the molecular formula of 4-Oxo-4-(tridecyloxy)but-2-enoic acid?
The molecular formula of 4-Oxo-4-(tridecyloxy)but-2-enoic acid is C17H30O4.
What is the molecular weight of 4-Oxo-4-(tridecyloxy)but-2-enoic acid?
The molecular weight of 4-Oxo-4-(tridecyloxy)but-2-enoic acid is 298.21442 g/mol.
Where can I buy 4-Oxo-4-(tridecyloxy)but-2-enoic acid?
You can request a quote for 4-Oxo-4-(tridecyloxy)but-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Oxo-4-(tridecyloxy)but-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Oxo-4-(tridecyloxy)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.