2,2,4-三氯壬酸乙酯
TL;DR: 2,2,4-三氯壬酸乙酯 (CAS 68039-28-1) is a chemical compound with molecular formula C11H19Cl3O2 and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-三氯壬酸乙酯
ethyl 2,2,4-trichlorononanoate
Also Known As: Ethyl 2,2,4-trichlorononanoate, Ethyl 2,2,4-trichlorononan-1-oate, ethyl2,2,4-trichlorononan-1-oate, Nonanoic acid, 2,2,4-trichloro-, ethyl ester, 2,2,4-Trichlorononanoic acid ethyl ester
| Molecular Formula | C11H19Cl3O2 |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 288.04507 |
| Heavy Atoms | 16 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 68039-28-1 |
|---|---|
| SMILES | CCCCCC(CC(C(=O)OCC)(Cl)Cl)Cl |
| InChIKey | JPICAFMHFSTXNT-UHFFFAOYSA-N |
Product Overview
2,2,4-三氯壬酸乙酯 (CAS 68039-28-1), with molecular formula C11H19Cl3O2 and molecular weight 288.05 g/mol. IUPAC: ethyl 2,2,4-trichlorononanoate.
Chemical Property Profile of 2,2,4-三氯壬酸乙酯
Property Insights of 2,2,4-三氯壬酸乙酯
The XLogP value of 5.0 indicates that 2,2,4-三氯壬酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,4-三氯壬酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-三氯壬酸乙酯 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 2,2,4-三氯壬酸乙酯?
The CAS number of 2,2,4-三氯壬酸乙酯 is 68039-28-1.
What is the molecular formula of 2,2,4-三氯壬酸乙酯?
The molecular formula of 2,2,4-三氯壬酸乙酯 is C11H19Cl3O2.
What is the molecular weight of 2,2,4-三氯壬酸乙酯?
The molecular weight of 2,2,4-三氯壬酸乙酯 is 288.05 g/mol.
Where can I buy 2,2,4-三氯壬酸乙酯?
You can request a quote for 2,2,4-三氯壬酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-三氯壬酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-三氯壬酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.