Hexyl 3,4-methylenedioxystyryl ketone
TL;DR: Hexyl 3,4-methylenedioxystyryl ketone (CAS 56750-98-2) is a chemical compound with molecular formula C16H20O3 and molecular weight 260.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)non-1-en-3-one
Also Known As: hexyl 3,4-methylenedioxystyryl ketone, 1-(1,3-benzodioxol-5-yl)non-1-en-3-one, (E)-1-(1,3-benzodioxol-5-yl)non-1-en-3-one
| Molecular Formula | C16H20O3 |
|---|---|
| Molecular Weight | 260.14 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 260.14124 |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 56750-98-2 |
|---|---|
| SMILES | CCCCCCC(=O)C=CC1=CC2=C(C=C1)OCO2 |
| InChIKey | PJPGDSMGAMXPEF-UHFFFAOYSA-N |
Product Overview
Hexyl 3,4-methylenedioxystyryl ketone (CAS 56750-98-2), with molecular formula C16H20O3 and molecular weight 260.14 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)non-1-en-3-one.
Chemical Property Profile of Hexyl 3,4-methylenedioxystyryl ketone
Property Insights of Hexyl 3,4-methylenedioxystyryl ketone
The XLogP value of 4.7 indicates that Hexyl 3,4-methylenedioxystyryl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Hexyl 3,4-methylenedioxystyryl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 3,4-methylenedioxystyryl ketone has 0 hydrogen bond donor(s) and 3 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 Hexyl 3,4-methylenedioxystyryl ketone?
The CAS number of Hexyl 3,4-methylenedioxystyryl ketone is 56750-98-2.
What is the molecular formula of Hexyl 3,4-methylenedioxystyryl ketone?
The molecular formula of Hexyl 3,4-methylenedioxystyryl ketone is C16H20O3.
What is the molecular weight of Hexyl 3,4-methylenedioxystyryl ketone?
The molecular weight of Hexyl 3,4-methylenedioxystyryl ketone is 260.14 g/mol.
Where can I buy Hexyl 3,4-methylenedioxystyryl ketone?
You can request a quote for Hexyl 3,4-methylenedioxystyryl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 3,4-methylenedioxystyryl ketone?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 3,4-methylenedioxystyryl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.