2-Chloroethyl stearate
TL;DR: 2-Chloroethyl stearate (CAS 1119-75-1) 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.
2-chloroethyl octadecanoate
Also Known As: 2-Chloroethyl stearate, 2-chloroethyl octadecanoate, 2-chloroethylstearate, Octadecanoic acid, 2-chloroethyl ester, Stearic acid 2-chloroethyl ester
| Molecular Formula | C20H39ClO2 |
|---|---|
| Molecular Weight | 346.26 g/mol |
| LogP | 9.1 |
| 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 | 1119-75-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCCl |
| InChIKey | QLBIYHGOHHPBCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroethyl stearate (CAS 1119-75-1), with molecular formula C20H39ClO2 and molecular weight 346.26 g/mol. IUPAC: 2-chloroethyl octadecanoate.
Chemical Property Profile of 2-Chloroethyl stearate
Property Insights of 2-Chloroethyl stearate
The XLogP value of 9.1 indicates that 2-Chloroethyl stearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chloroethyl stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl stearate 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 2-Chloroethyl stearate?
The CAS number of 2-Chloroethyl stearate is 1119-75-1.
What is the molecular formula of 2-Chloroethyl stearate?
The molecular formula of 2-Chloroethyl stearate is C20H39ClO2.
What is the molecular weight of 2-Chloroethyl stearate?
The molecular weight of 2-Chloroethyl stearate is 346.26 g/mol.
Where can I buy 2-Chloroethyl stearate?
You can request a quote for 2-Chloroethyl stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl stearate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.