Octadecyl chloroacetate
TL;DR: Octadecyl chloroacetate (CAS 5348-82-3) is a chemical compound with molecular formula C20H39ClO2 and molecular weight 346.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 2-chloroacetate
Also Known As: Octadecyl chloroacetate, octadecyl 2-chloroacetate, octadecylchloroacetate, Octadecyl chloroacetate #, Chloroacetic acid, octadecyl ester
| Molecular Formula | C20H39ClO2 |
|---|---|
| Molecular Weight | 346.26 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 346.26385 |
| Heavy Atoms | 23 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 5348-82-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCl |
| InChIKey | HDNSRULOUMXYKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadecyl chloroacetate (CAS 5348-82-3), with molecular formula C20H39ClO2 and molecular weight 346.26 g/mol. IUPAC: octadecyl 2-chloroacetate.
Chemical Property Profile of Octadecyl chloroacetate
Property Insights of Octadecyl chloroacetate
The XLogP value of 9.5 indicates that Octadecyl 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, Octadecyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl chloroacetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octadecyl chloroacetate?
The CAS number of Octadecyl chloroacetate is 5348-82-3.
What is the molecular formula of Octadecyl chloroacetate?
The molecular formula of Octadecyl chloroacetate is C20H39ClO2.
What is the molecular weight of Octadecyl chloroacetate?
The molecular weight of Octadecyl chloroacetate is 346.26 g/mol.
Where can I buy Octadecyl chloroacetate?
You can request a quote for Octadecyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Octadecyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.