2-Hexylcyclopentanone
TL;DR: 2-Hexylcyclopentanone (CAS 13074-65-2) is a chemical compound with molecular formula C11H20O and molecular weight 168.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexylcyclopentan-1-one
Also Known As: 2-Hexylcyclopentanone, Cyclopentanone, 2-hexyl-, 2-n-Hexylcyclopentanone, 2-Hexylcyclopentan-1-one, Jasmatone
| Molecular Formula | C11H20O |
|---|---|
| Molecular Weight | 168.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.15141 |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 13074-65-2 |
|---|---|
| SMILES | CCCCCCC1CCCC1=O |
| InChIKey | JTHVYOIHZNYRCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hexylcyclopentanone (CAS 13074-65-2), with molecular formula C11H20O and molecular weight 168.15 g/mol. IUPAC: 2-hexylcyclopentan-1-one.
Chemical Property Profile of 2-Hexylcyclopentanone
Property Insights of 2-Hexylcyclopentanone
The XLogP value of 3.5 indicates that 2-Hexylcyclopentanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Hexylcyclopentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexylcyclopentanone 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 2-Hexylcyclopentanone?
The CAS number of 2-Hexylcyclopentanone is 13074-65-2.
What is the molecular formula of 2-Hexylcyclopentanone?
The molecular formula of 2-Hexylcyclopentanone is C11H20O.
What is the molecular weight of 2-Hexylcyclopentanone?
The molecular weight of 2-Hexylcyclopentanone is 168.15 g/mol.
Where can I buy 2-Hexylcyclopentanone?
You can request a quote for 2-Hexylcyclopentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexylcyclopentanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexylcyclopentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.