Cyclohexyl hexanoate
TL;DR: Cyclohexyl hexanoate (CAS 6243-10-3) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl hexanoate
Also Known As: Cyclohexyl hexanoate, Cyclohexyl caproate, Cyclohexyl n-hexanoate, Hexanoic acid, cyclohexyl ester, Hexanoic acid cyclohexyl ester
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 6243-10-3 |
|---|---|
| SMILES | CCCCCC(=O)OC1CCCCC1 |
| InChIKey | DTNOERNOMHQUCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexyl hexanoate (CAS 6243-10-3), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: cyclohexyl hexanoate.
Chemical Property Profile of Cyclohexyl hexanoate
Property Insights of Cyclohexyl hexanoate
The XLogP value of 3.8 indicates that Cyclohexyl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyl hexanoate has 0 hydrogen bond donor(s) and 2 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 hexanoate?
The CAS number of Cyclohexyl hexanoate is 6243-10-3.
What is the molecular formula of Cyclohexyl hexanoate?
The molecular formula of Cyclohexyl hexanoate is C12H22O2.
What is the molecular weight of Cyclohexyl hexanoate?
The molecular weight of Cyclohexyl hexanoate is 198.16 g/mol.
Where can I buy Cyclohexyl hexanoate?
You can request a quote for Cyclohexyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.