4-Hexylcyclohexanone
TL;DR: 4-Hexylcyclohexanone (CAS 6302-85-8) is a chemical compound with molecular formula C12H22O and molecular weight 182.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hexylcyclohexan-1-one
Also Known As: 4-hexylcyclohexanone, 4-hexylcyclohexan-1-one, Cyclohexanone,4-hexyl, Cyclohexanone, 4-hexyl-
| Molecular Formula | C12H22O |
|---|---|
| Molecular Weight | 182.17 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.16707 |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 6302-85-8 |
|---|---|
| SMILES | CCCCCCC1CCC(=O)CC1 |
| InChIKey | QQBCXOPRVOCINO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hexylcyclohexanone (CAS 6302-85-8), with molecular formula C12H22O and molecular weight 182.17 g/mol. IUPAC: 4-hexylcyclohexan-1-one.
Chemical Property Profile of 4-Hexylcyclohexanone
Property Insights of 4-Hexylcyclohexanone
The XLogP value of 3.9 indicates that 4-Hexylcyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Hexylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexylcyclohexanone has 0 hydrogen bond donor(s) and 1 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-Hexylcyclohexanone?
The CAS number of 4-Hexylcyclohexanone is 6302-85-8.
What is the molecular formula of 4-Hexylcyclohexanone?
The molecular formula of 4-Hexylcyclohexanone is C12H22O.
What is the molecular weight of 4-Hexylcyclohexanone?
The molecular weight of 4-Hexylcyclohexanone is 182.17 g/mol.
Where can I buy 4-Hexylcyclohexanone?
You can request a quote for 4-Hexylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.