Octyl dichloroacetate
TL;DR: Octyl dichloroacetate (CAS 83004-98-2) is a chemical compound with molecular formula C10H18Cl2O2 and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2,2-dichloroacetate
Also Known As: Octyl dichloroacetate, octyl 2,2-dichloroacetate, octyldichloroacetate, n-octyl dichloroacetate, 1-Octanol, dichloroacetate
| Molecular Formula | C10H18Cl2O2 |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 240.06839 |
| Heavy Atoms | 14 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 83004-98-2 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C(Cl)Cl |
| InChIKey | HBWBXXRQGCFPRB-UHFFFAOYSA-N |
Product Overview
Octyl dichloroacetate (CAS 83004-98-2), with molecular formula C10H18Cl2O2 and molecular weight 240.07 g/mol. IUPAC: octyl 2,2-dichloroacetate.
Chemical Property Profile of Octyl dichloroacetate
Property Insights of Octyl dichloroacetate
The XLogP value of 4.8 indicates that Octyl dichloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octyl dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl dichloroacetate 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 Octyl dichloroacetate?
The CAS number of Octyl dichloroacetate is 83004-98-2.
What is the molecular formula of Octyl dichloroacetate?
The molecular formula of Octyl dichloroacetate is C10H18Cl2O2.
What is the molecular weight of Octyl dichloroacetate?
The molecular weight of Octyl dichloroacetate is 240.07 g/mol.
Where can I buy Octyl dichloroacetate?
You can request a quote for Octyl dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Octyl dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.