2-Decalone
TL;DR: 2-Decalone (CAS 4832-17-1) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
Also Known As: 2-DECALONE, beta-decalone, decalin-2-one, cis-2-Decalone, cis-beta-Decalone
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 4832-17-1 |
|---|---|
| SMILES | C1CCC2CC(=O)CCC2C1 |
| InChIKey | LGVJRKCQQHOWAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Decalone (CAS 4832-17-1), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: 3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one.
Chemical Property Profile of 2-Decalone
Property Insights of 2-Decalone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Decalone. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Decalone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Decalone 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 2-Decalone?
The CAS number of 2-Decalone is 4832-17-1.
What is the molecular formula of 2-Decalone?
The molecular formula of 2-Decalone is C10H16O.
What is the molecular weight of 2-Decalone?
The molecular weight of 2-Decalone is 152.12 g/mol.
Where can I buy 2-Decalone?
You can request a quote for 2-Decalone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Decalone?
Yes, KEHONG BIO provides custom synthesis services for 2-Decalone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.