Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone
TL;DR: Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone (CAS 1660-04-4) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)ethanone
Also Known As: 1-Acetyladamantane, 1-Adamantyl methyl ketone, 1-(1-Adamantyl)ethanone, 1-adamantylmethylketone, acetyladamantane
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 1660-04-4 |
|---|---|
| SMILES | CC(=O)C12CC3CC(C1)CC(C3)C2 |
| InChIKey | DACIGVIOAFXPHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone (CAS 1660-04-4), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 1-(1-adamantyl)ethanone.
Chemical Property Profile of Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone
Property Insights of Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone. With a topological polar surface area (TPSA) of 17.1 Ų, Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone 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 Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone?
The CAS number of Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone is 1660-04-4.
What is the molecular formula of Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone?
The molecular formula of Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone is C12H18O.
What is the molecular weight of Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone?
The molecular weight of Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone is 178.14 g/mol.
Where can I buy Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone?
You can request a quote for Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone?
Yes, KEHONG BIO provides custom synthesis services for Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.