1-乙酰氧基环己基甲基甲酮
TL;DR: 1-乙酰氧基环己基甲基甲酮 (CAS 52789-73-8) is a chemical compound with molecular formula C10H16O3 and molecular weight 184.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-乙酰氧基环己基甲基甲酮
(1-acetylcyclohexyl) acetate
Also Known As: 1-Acetylcyclohexyl acetate, (1-acetylcyclohexyl) acetate, 1-Acetoxy-1-acetylcyclohexane, 1-acetyl cyclohexyl acetate, Methyl 1-acetoxycyclohexyl ketone
| Molecular Formula | C10H16O3 |
|---|---|
| Molecular Weight | 184.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.10994 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
| Boiling Point | 67.00 °C. @ 3.00 mm Hg |
| Density | 1.04 |
| Solubility | slightly |
| Refractive Index | 1.46 |
Chemical Identifiers
| CAS Number | 52789-73-8 |
|---|---|
| SMILES | CC(=O)C1(CCCCC1)OC(=O)C |
| InChIKey | GIFAYASOTQVRTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-乙酰氧基环己基甲基甲酮 (CAS 52789-73-8), with molecular formula C10H16O3 and molecular weight 184.11 g/mol. IUPAC: (1-acetylcyclohexyl) acetate.
Chemical Property Profile of 1-乙酰氧基环己基甲基甲酮
Property Insights of 1-乙酰氧基环己基甲基甲酮
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-乙酰氧基环己基甲基甲酮. With a topological polar surface area (TPSA) of 43.4 Ų, 1-乙酰氧基环己基甲基甲酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-乙酰氧基环己基甲基甲酮 has 0 hydrogen bond donor(s) and 3 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 1-乙酰氧基环己基甲基甲酮?
The CAS number of 1-乙酰氧基环己基甲基甲酮 is 52789-73-8.
What is the molecular formula of 1-乙酰氧基环己基甲基甲酮?
The molecular formula of 1-乙酰氧基环己基甲基甲酮 is C10H16O3.
What is the molecular weight of 1-乙酰氧基环己基甲基甲酮?
The molecular weight of 1-乙酰氧基环己基甲基甲酮 is 184.11 g/mol.
Where can I buy 1-乙酰氧基环己基甲基甲酮?
You can request a quote for 1-乙酰氧基环己基甲基甲酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-乙酰氧基环己基甲基甲酮?
Yes, KEHONG BIO provides custom synthesis services for 1-乙酰氧基环己基甲基甲酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.