Hexadecyl chloroacetate
TL;DR: Hexadecyl chloroacetate (CAS 52132-58-8) is a chemical compound with molecular formula C18H35ClO2 and molecular weight 318.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl 2-chloroacetate
Also Known As: Hexadecyl chloroacetate, hexadecyl 2-chloroacetate, Hexadecyl chloroacetate #, Chloro-acetic acid hexadecyl ester, Chloroacetic acid cetyl ester
| Molecular Formula | C18H35ClO2 |
|---|---|
| Molecular Weight | 318.23 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 318.23254 |
| Heavy Atoms | 21 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 52132-58-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)CCl |
| InChIKey | XQHTWCIWGQDGOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexadecyl chloroacetate (CAS 52132-58-8), with molecular formula C18H35ClO2 and molecular weight 318.23 g/mol. IUPAC: hexadecyl 2-chloroacetate.
Chemical Property Profile of Hexadecyl chloroacetate
Property Insights of Hexadecyl chloroacetate
The XLogP value of 8.4 indicates that Hexadecyl 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, Hexadecyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyl 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 Hexadecyl chloroacetate?
The CAS number of Hexadecyl chloroacetate is 52132-58-8.
What is the molecular formula of Hexadecyl chloroacetate?
The molecular formula of Hexadecyl chloroacetate is C18H35ClO2.
What is the molecular weight of Hexadecyl chloroacetate?
The molecular weight of Hexadecyl chloroacetate is 318.23 g/mol.
Where can I buy Hexadecyl chloroacetate?
You can request a quote for Hexadecyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.