5,8-Dimethoxytetralone
TL;DR: 5,8-Dimethoxytetralone (CAS 1015-55-0) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
Also Known As: 5,8-Dimethoxy-1-tetralone, 5,8-Dimethoxytetralone, 5,8-Dimethoxytetralin-1-one, 5,8-dimethoxy-3,4-dihydronaphthalen-1(2h)-one, 3,4-Dihydro-5,8-dimethoxynaphthalen-1(2H)-one
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 1015-55-0 |
|---|---|
| SMILES | COC1=C2CCCC(=O)C2=C(C=C1)OC |
| InChIKey | VAMWBRIIBYQTGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,8-Dimethoxytetralone (CAS 1015-55-0), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of 5,8-Dimethoxytetralone
Property Insights of 5,8-Dimethoxytetralone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,8-Dimethoxytetralone. With a topological polar surface area (TPSA) of 35.5 Ų, 5,8-Dimethoxytetralone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,8-Dimethoxytetralone 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 5,8-Dimethoxytetralone?
The CAS number of 5,8-Dimethoxytetralone is 1015-55-0.
What is the molecular formula of 5,8-Dimethoxytetralone?
The molecular formula of 5,8-Dimethoxytetralone is C12H14O3.
What is the molecular weight of 5,8-Dimethoxytetralone?
The molecular weight of 5,8-Dimethoxytetralone is 206.09 g/mol.
Where can I buy 5,8-Dimethoxytetralone?
You can request a quote for 5,8-Dimethoxytetralone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,8-Dimethoxytetralone?
Yes, KEHONG BIO provides custom synthesis services for 5,8-Dimethoxytetralone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.