![2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one structure](/static/products/4954/49545-71-3.webp)
2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one
TL;DR: 2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one (CAS 49545-71-3) is a chemical compound with molecular formula C18H14O3 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one
Also Known As: 2-piperonylidene-1-tetralone, 2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one, 2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one, (2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-1,2,3,4-tetrahydronaphthalen-1-one
| Molecular Formula | C18H14O3 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.0943 |
| Heavy Atoms | 21 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 49545-71-3 |
|---|---|
| SMILES | C1CC(=CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C41 |
| InChIKey | ZSWFGLVDMKTZIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one (CAS 49545-71-3), with molecular formula C18H14O3 and molecular weight 278.09 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one.
Chemical Property Profile of 2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one
Property Insights of 2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one
The XLogP value of 3.9 indicates that 2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one 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 2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one?
The CAS number of 2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one is 49545-71-3.
What is the molecular formula of 2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one?
The molecular formula of 2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one is C18H14O3.
What is the molecular weight of 2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one?
The molecular weight of 2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one is 278.09 g/mol.
Where can I buy 2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one?
You can request a quote for 2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzo[d][1,3]dioxol-5-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.