5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one
TL;DR: 5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one (CAS 20875-63-2) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-one
Also Known As: 5,6,7-trimethoxytetralin-1-one, 5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one, 5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-one, J2.175.674A, 5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-one
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 20875-63-2 |
|---|---|
| SMILES | COC1=C(C(=C2CCCC(=O)C2=C1)OC)OC |
| InChIKey | WJEXEEMYPRLYDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one (CAS 20875-63-2), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of 5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one
Property Insights of 5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one. With a topological polar surface area (TPSA) of 44.8 Ų, 5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one 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
Frequently Asked Questions
What is the CAS number of 5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one?
The CAS number of 5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one is 20875-63-2.
What is the molecular formula of 5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one?
The molecular formula of 5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one is C13H16O4.
What is the molecular weight of 5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one?
The molecular weight of 5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one is 236.10 g/mol.
Where can I buy 5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one?
You can request a quote for 5,6,7-Trimethoxy-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 5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7-Trimethoxy-3,4-dihydronaphthalen-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.