Octyl chloroacetate
TL;DR: Octyl chloroacetate (CAS 71617-60-2) is a chemical compound with molecular formula C10H19ClO2 and molecular weight 206.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-chloroacetate
Also Known As: Octyl chloroacetate, octyl 2-chloroacetate, 1-Octanol, chloroacetate, Chloroacetic acid, octyl ester, Chlor-essigsaeure-octylester
| Molecular Formula | C10H19ClO2 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 206.10736 |
| Heavy Atoms | 13 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 71617-60-2 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCl |
| InChIKey | NNXMXUSTTDFBDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl chloroacetate (CAS 71617-60-2), with molecular formula C10H19ClO2 and molecular weight 206.11 g/mol. IUPAC: octyl 2-chloroacetate.
Chemical Property Profile of Octyl chloroacetate
Property Insights of Octyl chloroacetate
The XLogP value of 4.0 indicates that Octyl 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, Octyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 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 Octyl chloroacetate?
The CAS number of Octyl chloroacetate is 71617-60-2.
What is the molecular formula of Octyl chloroacetate?
The molecular formula of Octyl chloroacetate is C10H19ClO2.
What is the molecular weight of Octyl chloroacetate?
The molecular weight of Octyl chloroacetate is 206.11 g/mol.
Where can I buy Octyl chloroacetate?
You can request a quote for Octyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Octyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.