2-Chloroethyl octadeca-9,12-dienoate
TL;DR: 2-Chloroethyl octadeca-9,12-dienoate (CAS 25525-76-2) is a chemical compound with molecular formula C20H35ClO2 and molecular weight 342.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl octadeca-9,12-dienoate
Also Known As: 9,12-Octadecadienoicacid (9Z,12Z)-, 2-chloroethyl ester
| Molecular Formula | C20H35ClO2 |
|---|---|
| Molecular Weight | 342.23 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 342.23254 |
| Heavy Atoms | 23 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 25525-76-2 |
|---|---|
| SMILES | CCCCCC=CCC=CCCCCCCCC(=O)OCCCl |
| InChIKey | JFNBJTDMUIDJBU-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl octadeca-9,12-dienoate (CAS 25525-76-2), with molecular formula C20H35ClO2 and molecular weight 342.23 g/mol. IUPAC: 2-chloroethyl octadeca-9,12-dienoate.
Chemical Property Profile of 2-Chloroethyl octadeca-9,12-dienoate
Property Insights of 2-Chloroethyl octadeca-9,12-dienoate
The XLogP value of 7.5 indicates that 2-Chloroethyl octadeca-9,12-dienoate 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 octadeca-9,12-dienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl octadeca-9,12-dienoate 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 octadeca-9,12-dienoate?
The CAS number of 2-Chloroethyl octadeca-9,12-dienoate is 25525-76-2.
What is the molecular formula of 2-Chloroethyl octadeca-9,12-dienoate?
The molecular formula of 2-Chloroethyl octadeca-9,12-dienoate is C20H35ClO2.
What is the molecular weight of 2-Chloroethyl octadeca-9,12-dienoate?
The molecular weight of 2-Chloroethyl octadeca-9,12-dienoate is 342.23 g/mol.
Where can I buy 2-Chloroethyl octadeca-9,12-dienoate?
You can request a quote for 2-Chloroethyl octadeca-9,12-dienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl octadeca-9,12-dienoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl octadeca-9,12-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.