3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
TL;DR: 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one (CAS 56676-83-6) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
Also Known As: 2-Acetyl-5,8-dimethoxy-4-tetralone, 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one, 1(2H)-Naphthalenone, 3-acetyl-3,4-dihydro-5,8-dimethoxy-, 2-acetyl-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene-4-one
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 56676-83-6 |
|---|---|
| SMILES | CC(=O)C1CC2=C(C=CC(=C2C(=O)C1)OC)OC |
| InChIKey | RGQPRKPHBRTYTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one (CAS 56676-83-6), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
Property Insights of 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one. With a topological polar surface area (TPSA) of 52.6 Ų, 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-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 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
The CAS number of 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one is 56676-83-6.
What is the molecular formula of 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
The molecular formula of 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one is C14H16O4.
What is the molecular weight of 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
The molecular weight of 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one is 248.10 g/mol.
Where can I buy 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
You can request a quote for 3-acetyl-5,8-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 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.