Hexyl chloroacetate
TL;DR: Hexyl chloroacetate (CAS 66172-65-4) is a chemical compound with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-chloroacetate
Also Known As: hexyl 2-chloroacetate, Hexyl chloroacetate, Hexyl chloroacetate #, 1-Hexanol, chloroacetate, Chloroaceticacid,hexylester
| Molecular Formula | C8H15ClO2 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 178.07605 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 66172-65-4 |
|---|---|
| SMILES | CCCCCCOC(=O)CCl |
| InChIKey | OJGRZJILAIHWIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl chloroacetate (CAS 66172-65-4), with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol. IUPAC: hexyl 2-chloroacetate.
Chemical Property Profile of Hexyl chloroacetate
Property Insights of Hexyl chloroacetate
The XLogP value of 3.0 indicates that Hexyl chloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl chloroacetate 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 Hexyl chloroacetate?
The CAS number of Hexyl chloroacetate is 66172-65-4.
What is the molecular formula of Hexyl chloroacetate?
The molecular formula of Hexyl chloroacetate is C8H15ClO2.
What is the molecular weight of Hexyl chloroacetate?
The molecular weight of Hexyl chloroacetate is 178.08 g/mol.
Where can I buy Hexyl chloroacetate?
You can request a quote for Hexyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.