辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯
TL;DR: 辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯 (CAS 219827-50-6) is a chemical compound with molecular formula C16H21Cl3O3 and molecular weight 366.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯
octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate
Also Known As: Spectrum2_001841, Spectrum3_000841, Spectrum4_000681, Spectrum5_001998, 2,4,5-T-2-OCTYL ESTER
| Molecular Formula | C16H21Cl3O3 |
|---|---|
| Molecular Weight | 366.06 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 366.05563 |
| Heavy Atoms | 22 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 219827-50-6 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | LNNVYVOLCDEYEU-UHFFFAOYSA-N |
Product Overview
辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯 (CAS 219827-50-6), with molecular formula C16H21Cl3O3 and molecular weight 366.06 g/mol. IUPAC: octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate.
Chemical Property Profile of 辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯
Property Insights of 辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯
The XLogP value of 6.9 indicates that 辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯?
The CAS number of 辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯 is 219827-50-6.
What is the molecular formula of 辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯?
The molecular formula of 辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯 is C16H21Cl3O3.
What is the molecular weight of 辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯?
The molecular weight of 辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯 is 366.06 g/mol.
Where can I buy 辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯?
You can request a quote for 辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 辛-2-基2-(2,4,5-三氯苯氧基)乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.