1-(1,3-Benzodioxol-5-yl)hexyl acetate
TL;DR: 1-(1,3-Benzodioxol-5-yl)hexyl acetate (CAS 1074-54-0) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.13617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-yl)hexyl acetate
Also Known As: 1-(1,3-benzodioxol-5-yl)hexyl acetate, KST-1A9787, 1-BENZO[1,3]DIOXOL-5-YLHEXYL ACETATE, 1-(2H-1,3-BENZODIOXOL-5-YL)HEXYL ACETATE
Technical Specifications
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.13617 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 264.13617 Da |
| Heavy Atoms | 19 |
| Complexity | 292.0 |
| SMILES | CCCCCC(C1=CC2=C(C=C1)OCO2)OC(=O)C |
| InChIKey | DHFWEDDMTLCZLG-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)hexyl acetate
Property Insights of 1-(1,3-Benzodioxol-5-yl)hexyl acetate
The XLogP value of 3.8 indicates that 1-(1,3-Benzodioxol-5-yl)hexyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 1-(1,3-Benzodioxol-5-yl)hexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)hexyl acetate 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-(1,3-Benzodioxol-5-yl)hexyl acetate?
The CAS number of 1-(1,3-Benzodioxol-5-yl)hexyl acetate is 1074-54-0.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)hexyl acetate?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)hexyl acetate is C15H20O4.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)hexyl acetate?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)hexyl acetate is 264.13617 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)hexyl acetate?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)hexyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1,3-Benzodioxol-5-yl)hexyl acetate?
Yes, CoreyChem provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)hexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.