8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione
TL;DR: 8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione (CAS 5041-07-6) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8a-methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione
Also Known As: 8a-methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione, 8a-Methyl-4a,5,8,8a-tetrahydronaphthalene-1,3(2H,4H)-dione
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 5041-07-6 |
|---|---|
| SMILES | CC12CC=CCC1CC(=O)CC2=O |
| InChIKey | VLEIDMVTRLJGAG-UHFFFAOYSA-N |
Product Overview
8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione (CAS 5041-07-6), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 8a-methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione.
Chemical Property Profile of 8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione
Property Insights of 8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione has 0 hydrogen bond donor(s) and 2 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 8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione?
The CAS number of 8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione is 5041-07-6.
What is the molecular formula of 8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione?
The molecular formula of 8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione is C11H14O2.
What is the molecular weight of 8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione?
The molecular weight of 8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione is 178.10 g/mol.
Where can I buy 8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione?
You can request a quote for 8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 8a-Methyl-4,4a,5,8-tetrahydronaphthalene-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.