(2-Oxocyclohexyl)methyl acetate
TL;DR: (2-Oxocyclohexyl)methyl acetate (CAS 7500-52-9) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxocyclohexyl)methyl acetate
Also Known As: (2-oxocyclohexyl)methyl acetate, acetic acid (2-oxo-cyclohexyl)-methyl ester, RefChem:206263
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 7500-52-9 |
|---|---|
| SMILES | CC(=O)OCC1CCCCC1=O |
| InChIKey | YEFWAPMLTMNZEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Oxocyclohexyl)methyl acetate (CAS 7500-52-9), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: (2-oxocyclohexyl)methyl acetate.
Chemical Property Profile of (2-Oxocyclohexyl)methyl acetate
Property Insights of (2-Oxocyclohexyl)methyl acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Oxocyclohexyl)methyl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, (2-Oxocyclohexyl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Oxocyclohexyl)methyl acetate 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 (2-Oxocyclohexyl)methyl acetate?
The CAS number of (2-Oxocyclohexyl)methyl acetate is 7500-52-9.
What is the molecular formula of (2-Oxocyclohexyl)methyl acetate?
The molecular formula of (2-Oxocyclohexyl)methyl acetate is C9H14O3.
What is the molecular weight of (2-Oxocyclohexyl)methyl acetate?
The molecular weight of (2-Oxocyclohexyl)methyl acetate is 170.09 g/mol.
Where can I buy (2-Oxocyclohexyl)methyl acetate?
You can request a quote for (2-Oxocyclohexyl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Oxocyclohexyl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (2-Oxocyclohexyl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.