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 284.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C16H28O4 |
|---|---|
| Molecular Weight | 284.20 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 284.19876 |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 67953-19-9 |
|---|---|
| SMILES | CC(C)CC(C)OC(=O)C=CC(=O)OC(C)CC(C)C |
| InChIKey | NZQQFMVULBBDSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Bis(1,3-dimethylbutyl) 2-butenedioate (CAS 67953-19-9), with molecular formula C16H28O4 and molecular weight 284.20 g/mol. IUPAC: bis(4-methylpentan-2-yl) but-2-enedioate.
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
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 284.20 g/mol.
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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(1,3-dimethylbutyl) 2-butenedioate?
Yes, KEHONG BIO 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.