4-Oxocyclohexyl acetate
TL;DR: 4-Oxocyclohexyl acetate (CAS 41287-97-2) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxocyclohexyl) acetate
Also Known As: 4-Oxocyclohexyl acetate, (4-oxocyclohexyl) acetate, 4-acetoxycyclohexanone, Acetic acid 4-oxo-cyclohexyl ester, 4-Oxocyclohexylacetate
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 41287-97-2 |
|---|---|
| SMILES | CC(=O)OC1CCC(=O)CC1 |
| InChIKey | YBMRTOLIRJUOPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxocyclohexyl acetate (CAS 41287-97-2), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: (4-oxocyclohexyl) acetate.
Chemical Property Profile of 4-Oxocyclohexyl acetate
Property Insights of 4-Oxocyclohexyl acetate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxocyclohexyl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Oxocyclohexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxocyclohexyl 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 4-Oxocyclohexyl acetate?
The CAS number of 4-Oxocyclohexyl acetate is 41287-97-2.
What is the molecular formula of 4-Oxocyclohexyl acetate?
The molecular formula of 4-Oxocyclohexyl acetate is C8H12O3.
What is the molecular weight of 4-Oxocyclohexyl acetate?
The molecular weight of 4-Oxocyclohexyl acetate is 156.08 g/mol.
Where can I buy 4-Oxocyclohexyl acetate?
You can request a quote for 4-Oxocyclohexyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxocyclohexyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxocyclohexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.