Octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate
TL;DR: Octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate (CAS 219827-50-6) is a chemical compound with molecular formula C16H21Cl3O3 and molecular weight 366.05563 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C16H21Cl3O3 |
| Molecular Weight | 366.05563 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 366.05563 Da |
| Heavy Atoms | 22 |
| Complexity | 328.0 |
| SMILES | CCCCCCC(C)OC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | LNNVYVOLCDEYEU-UHFFFAOYSA-N |
Chemical Property Profile of Octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate
Property Insights of Octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate
The XLogP value of 6.9 indicates that Octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate?
The CAS number of Octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate is 219827-50-6.
What is the molecular formula of Octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate?
The molecular formula of Octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate is C16H21Cl3O3.
What is the molecular weight of Octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate?
The molecular weight of Octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate is 366.05563 g/mol.
Where can I buy Octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate?
You can request a quote for Octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate?
Yes, CoreyChem provides custom synthesis services for Octan-2-yl 2-(2,4,5-trichlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.