1,4-Bis(1,3-dimethylbutyl) 2-butenedioate
TL;DR: 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate (CAS 67953-19-9) 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.
bis(4-methylpentan-2-yl) but-2-enedioate
Also Known As: Bis(1,3-dimethylbutyl) maleate, Bis(1,3-dimethylbutyl) 2-butenedioate, bis-(1,3-Dimethylbutyl) 2-butenedioate, Bis(4-methylpentan-2-yl) but-2-enedioate, 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H28O4 |
| Molecular Weight | 284.19876 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 284.19876 Da |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
| SMILES | CC(C)CC(C)OC(=O)C=CC(=O)OC(C)CC(C)C |
| InChIKey | NZQQFMVULBBDSP-UHFFFAOYSA-N |
Product Description
Applications: 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate is used in polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A polymer intermediate supplied by CoreyChem, 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate (CAS 67953-19-9) has the molecular formula C16H28O4 and a molecular weight of 284.2 g/mol. Synonyms include Bis(1,3-dimethylbutyl) maleate and Bis(1,3-dimethylbutyl) 2-butenedioate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate
Property Insights of 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate
The XLogP value of 4.5 indicates that 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate 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 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate?
The CAS number of 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate is 67953-19-9.
What is the molecular formula of 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate?
The molecular formula of 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate is C16H28O4.
What is the molecular weight of 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate?
The molecular weight of 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate is 284.19876 g/mol.
What are the applications of 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate?
1,4-Bis(1,3-dimethylbutyl) 2-butenedioate is used in polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical...
Where can I buy 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate?
You can request a quote for 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate?
Yes, CoreyChem provides custom synthesis services for 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.