2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
TL;DR: 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one (CAS 51116-25-7) is a chemical compound with molecular formula C19H18O5 and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
Also Known As: 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one, 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphth, 2-(2H-1,3-Benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydronaphthalen-1(2H)-one
| Molecular Formula | C19H18O5 |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.11542 |
| Heavy Atoms | 24 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 51116-25-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCC(C2=O)C3=CC4=C(C=C3)OCO4)OC |
| InChIKey | OBTVDFSWWSBVMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one (CAS 51116-25-7), with molecular formula C19H18O5 and molecular weight 326.12 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
Property Insights of 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
The XLogP value of 3.5 indicates that 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one has 0 hydrogen bond donor(s) and 5 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-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
The CAS number of 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one is 51116-25-7.
What is the molecular formula of 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
The molecular formula of 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one is C19H18O5.
What is the molecular weight of 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
The molecular weight of 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one is 326.12 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
You can request a quote for 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.