5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
TL;DR: 5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one (CAS 6816-50-8) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
Also Known As: 5-acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one, 5-Acetyl-4a-methyl-4,4a,5,6-tetrahydronaphthalen-2(3H)-one
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 6816-50-8 |
|---|---|
| SMILES | CC(=O)C1CC=CC2=CC(=O)CCC12C |
| InChIKey | WYJLDTABZBFHGG-UHFFFAOYSA-N |
Product Overview
5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one (CAS 6816-50-8), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 5-acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one.
Chemical Property Profile of 5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
Property Insights of 5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one. With a topological polar surface area (TPSA) of 34.1 Ų, 5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one 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 5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one?
The CAS number of 5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one is 6816-50-8.
What is the molecular formula of 5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one?
The molecular formula of 5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one is C13H16O2.
What is the molecular weight of 5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one?
The molecular weight of 5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one is 204.12 g/mol.
Where can I buy 5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one?
You can request a quote for 5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.