Hexyl dichloroacetate
TL;DR: Hexyl dichloroacetate (CAS 37079-04-2) is a chemical compound with molecular formula C8H14Cl2O2 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2,2-dichloroacetate
Also Known As: Hexyl dichloroacetate, hexyl 2,2-dichloroacetate, n-hexyl dichloroacetate, Hexyl dichloroacetate #, 1-Hexanol, dichloroacetate
| Molecular Formula | C8H14Cl2O2 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 212.03708 |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 37079-04-2 |
|---|---|
| SMILES | CCCCCCOC(=O)C(Cl)Cl |
| InChIKey | WZSTYEOGVNOGKU-UHFFFAOYSA-N |
Product Overview
Hexyl dichloroacetate (CAS 37079-04-2), with molecular formula C8H14Cl2O2 and molecular weight 212.04 g/mol. IUPAC: hexyl 2,2-dichloroacetate.
Chemical Property Profile of Hexyl dichloroacetate
Property Insights of Hexyl dichloroacetate
The XLogP value of 3.8 indicates that Hexyl 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, Hexyl dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 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 Hexyl dichloroacetate?
The CAS number of Hexyl dichloroacetate is 37079-04-2.
What is the molecular formula of Hexyl dichloroacetate?
The molecular formula of Hexyl dichloroacetate is C8H14Cl2O2.
What is the molecular weight of Hexyl dichloroacetate?
The molecular weight of Hexyl dichloroacetate is 212.04 g/mol.
Where can I buy Hexyl dichloroacetate?
You can request a quote for Hexyl dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.