5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione
TL;DR: 5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione (CAS 54100-20-8) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
Also Known As: 5-methoxy-8a-methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione, 5-methoxy-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione, 5-methoxy-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-quinone, 5-Methoxy-8a-methyl-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dione, 662-290-0
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.0091 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 353.87872 |
Chemical Identifiers
| CAS Number | 54100-20-8 |
|---|---|
| SMILES | CC12CCC(=O)C(=C1CCCC2=O)OC |
Product Overview
5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione (CAS 54100-20-8), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 5-methoxy-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione.
Chemical Property Profile of 5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione
Property Insights of 5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione
The XLogP value of 2.0091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione. With a topological polar surface area (TPSA) of 43.37 Ų, 5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione 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-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione?
The CAS number of 5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione is 54100-20-8.
What is the molecular formula of 5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione?
The molecular formula of 5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione is C12H16O3.
What is the molecular weight of 5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione?
The molecular weight of 5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione is 208.11 g/mol.
Where can I buy 5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione?
You can request a quote for 5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.