4-Benzoyloxy-2-butenyl trimethylacetate
TL;DR: 4-Benzoyloxy-2-butenyl trimethylacetate (CAS 59863-56-8) is a chemical compound with molecular formula C16H20O4 and molecular weight 276.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2-dimethylpropanoyloxy)but-2-enyl benzoate
Also Known As: 4-Benzoyloxy-2-butenyl trimethylacetate, 4-(2,2-dimethylpropanoyloxy)but-2-enyl benzoate, [(Z)-4-(2,2-dimethylpropanoyloxy)but-2-enyl] benzoate
| Molecular Formula | C16H20O4 |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 276.13617 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 59863-56-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)OCC=CCOC(=O)C1=CC=CC=C1 |
| InChIKey | LRYLKQUAZJGIDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzoyloxy-2-butenyl trimethylacetate (CAS 59863-56-8), with molecular formula C16H20O4 and molecular weight 276.14 g/mol. IUPAC: 4-(2,2-dimethylpropanoyloxy)but-2-enyl benzoate.
Chemical Property Profile of 4-Benzoyloxy-2-butenyl trimethylacetate
Property Insights of 4-Benzoyloxy-2-butenyl trimethylacetate
The XLogP value of 3.4 indicates that 4-Benzoyloxy-2-butenyl trimethylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Benzoyloxy-2-butenyl trimethylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzoyloxy-2-butenyl trimethylacetate 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 4-Benzoyloxy-2-butenyl trimethylacetate?
The CAS number of 4-Benzoyloxy-2-butenyl trimethylacetate is 59863-56-8.
What is the molecular formula of 4-Benzoyloxy-2-butenyl trimethylacetate?
The molecular formula of 4-Benzoyloxy-2-butenyl trimethylacetate is C16H20O4.
What is the molecular weight of 4-Benzoyloxy-2-butenyl trimethylacetate?
The molecular weight of 4-Benzoyloxy-2-butenyl trimethylacetate is 276.14 g/mol.
Where can I buy 4-Benzoyloxy-2-butenyl trimethylacetate?
You can request a quote for 4-Benzoyloxy-2-butenyl trimethylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzoyloxy-2-butenyl trimethylacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzoyloxy-2-butenyl trimethylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.