2,2,2-Trichloroethyl octanoate
TL;DR: 2,2,2-Trichloroethyl octanoate (CAS 84443-53-8) is a chemical compound with molecular formula C10H17Cl3O2 and molecular weight 274.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl octanoate
Also Known As: 2,2,2-Trichloroethyl octanoate, 2,2,2-trichloro-ethyl octanoate, Octanoic acid, 2,2,2-trichloroethyl ester, Octanoic acid,2,2,2-trichloroethyl ester, RefChem:242443
| Molecular Formula | C10H17Cl3O2 |
|---|---|
| Molecular Weight | 274.03 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 274.02942 |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 84443-53-8 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(Cl)(Cl)Cl |
| InChIKey | HSGDHOUWEKLJIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-Trichloroethyl octanoate (CAS 84443-53-8), with molecular formula C10H17Cl3O2 and molecular weight 274.03 g/mol. IUPAC: 2,2,2-trichloroethyl octanoate.
Chemical Property Profile of 2,2,2-Trichloroethyl octanoate
Property Insights of 2,2,2-Trichloroethyl octanoate
The XLogP value of 5.0 indicates that 2,2,2-Trichloroethyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,2-Trichloroethyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trichloroethyl octanoate 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 2,2,2-Trichloroethyl octanoate?
The CAS number of 2,2,2-Trichloroethyl octanoate is 84443-53-8.
What is the molecular formula of 2,2,2-Trichloroethyl octanoate?
The molecular formula of 2,2,2-Trichloroethyl octanoate is C10H17Cl3O2.
What is the molecular weight of 2,2,2-Trichloroethyl octanoate?
The molecular weight of 2,2,2-Trichloroethyl octanoate is 274.03 g/mol.
Where can I buy 2,2,2-Trichloroethyl octanoate?
You can request a quote for 2,2,2-Trichloroethyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trichloroethyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloroethyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.