Cyclohexyl 4-oxopentanoate
TL;DR: Cyclohexyl 4-oxopentanoate (CAS 3063-69-2) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 4-oxopentanoate
Also Known As: cyclohexyl 4-oxopentanoate, cyclohexyl levulinate, Laevulinsaeure-cyclohexylester, 4-Oxopentanoic acid cyclohexyl ester, Pentanoic acid, 4-oxo-, cyclohexyl ester
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 3063-69-2 |
|---|---|
| SMILES | CC(=O)CCC(=O)OC1CCCCC1 |
| InChIKey | PQJDSRWCTFIVMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexyl 4-oxopentanoate (CAS 3063-69-2), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: cyclohexyl 4-oxopentanoate.
Chemical Property Profile of Cyclohexyl 4-oxopentanoate
Property Insights of Cyclohexyl 4-oxopentanoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexyl 4-oxopentanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Cyclohexyl 4-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyl 4-oxopentanoate 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 Cyclohexyl 4-oxopentanoate?
The CAS number of Cyclohexyl 4-oxopentanoate is 3063-69-2.
What is the molecular formula of Cyclohexyl 4-oxopentanoate?
The molecular formula of Cyclohexyl 4-oxopentanoate is C11H18O3.
What is the molecular weight of Cyclohexyl 4-oxopentanoate?
The molecular weight of Cyclohexyl 4-oxopentanoate is 198.13 g/mol.
Where can I buy Cyclohexyl 4-oxopentanoate?
You can request a quote for Cyclohexyl 4-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl 4-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl 4-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.