2-Ethylhexyl chloroacetate
TL;DR: 2-Ethylhexyl chloroacetate (CAS 59419-26-0) 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.
2-ethylhexyl 2-chloroacetate
Also Known As: 2-Ethylhexyl chloroacetate, 2-ethylhexyl 2-chloroacetate, 2-ETHYLHEXYLBUTYRATE, Chloroacetic acid, 2-ethylhexyl ester, 2-Ethylhexyl chloroacetate #
| Molecular Formula | C10H19ClO2 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 206.10736 |
| Heavy Atoms | 13 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 59419-26-0 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CCl |
| InChIKey | QZBQQHUYQKGPLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylhexyl chloroacetate (CAS 59419-26-0), with molecular formula C10H19ClO2 and molecular weight 206.11 g/mol. IUPAC: 2-ethylhexyl 2-chloroacetate.
Chemical Property Profile of 2-Ethylhexyl chloroacetate
Property Insights of 2-Ethylhexyl chloroacetate
The XLogP value of 3.9 indicates that 2-Ethylhexyl 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, 2-Ethylhexyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl 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 2-Ethylhexyl chloroacetate?
The CAS number of 2-Ethylhexyl chloroacetate is 59419-26-0.
What is the molecular formula of 2-Ethylhexyl chloroacetate?
The molecular formula of 2-Ethylhexyl chloroacetate is C10H19ClO2.
What is the molecular weight of 2-Ethylhexyl chloroacetate?
The molecular weight of 2-Ethylhexyl chloroacetate is 206.11 g/mol.
Where can I buy 2-Ethylhexyl chloroacetate?
You can request a quote for 2-Ethylhexyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.