7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone
TL;DR: 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone (CAS 34545-88-5) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
Also Known As: coconut naphthalenone, KUMARONE, FEMA No. 3715, 3-Bromo-2,5-dichlorothiophene, 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 271.0 |
| Melting Point | 36.00 to 37.00 °C. @ 760.00 mm Hg |
| Boiling Point | 305.00 to 306.00 °C. @ 760.00 mm Hg |
| Solubility | Soluble in ether, fat; Insoluble in water |
Chemical Identifiers
| CAS Number | 34545-88-5 |
|---|---|
| SMILES | CC1=CC2=CC(=O)CCC2CC1 |
| InChIKey | NGSXTBFUMNXJDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone (CAS 34545-88-5), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 7-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one.
Chemical Property Profile of 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone
Property Insights of 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone. With a topological polar surface area (TPSA) of 17.1 Ų, 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone has 0 hydrogen bond donor(s) and 1 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 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone?
The CAS number of 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone is 34545-88-5.
What is the molecular formula of 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone?
The molecular formula of 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone is C11H14O.
What is the molecular weight of 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone?
The molecular weight of 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone is 162.10 g/mol.
Where can I buy 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone?
You can request a quote for 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.