1-O-butyl 4-O-octyl but-2-enedioate
TL;DR: 1-O-butyl 4-O-octyl but-2-enedioate (CAS 61911-58-8) is a chemical compound with molecular formula C16H28O4 and molecular weight 284.19876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-O-butyl 4-O-octyl but-2-enedioate
Also Known As: Butyl octyl maleate, 2-Butenedioic acid (Z)-, butyl octyl ester, 2-Butenedioic acid (2Z)-, butyl octyl ester, 2-Butenedioic acid (2Z)-, 1-butyl 4-octyl ester
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H28O4 |
| Molecular Weight | 284.19876 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 284.19876 Da |
| Heavy Atoms | 20 |
| Complexity | 284.0 |
| SMILES | CCCCCCCCOC(=O)C=CC(=O)OCCCC |
| InChIKey | KBZVSYQZRXCWHY-UHFFFAOYSA-N |
Chemical Property Profile of 1-O-butyl 4-O-octyl but-2-enedioate
Property Insights of 1-O-butyl 4-O-octyl but-2-enedioate
The XLogP value of 4.9 indicates that 1-O-butyl 4-O-octyl but-2-enedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1-O-butyl 4-O-octyl but-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-O-butyl 4-O-octyl but-2-enedioate has 0 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 1-O-butyl 4-O-octyl but-2-enedioate?
The CAS number of 1-O-butyl 4-O-octyl but-2-enedioate is 61911-58-8.
What is the molecular formula of 1-O-butyl 4-O-octyl but-2-enedioate?
The molecular formula of 1-O-butyl 4-O-octyl but-2-enedioate is C16H28O4.
What is the molecular weight of 1-O-butyl 4-O-octyl but-2-enedioate?
The molecular weight of 1-O-butyl 4-O-octyl but-2-enedioate is 284.19876 g/mol.
Where can I buy 1-O-butyl 4-O-octyl but-2-enedioate?
You can request a quote for 1-O-butyl 4-O-octyl but-2-enedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-O-butyl 4-O-octyl but-2-enedioate?
Yes, CoreyChem provides custom synthesis services for 1-O-butyl 4-O-octyl but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.