Octyl (2,4,5-trichlorophenoxy)acetate
TL;DR: Octyl (2,4,5-trichlorophenoxy)acetate (CAS 2630-15-1) 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.
octyl 2-(2,4,5-trichlorophenoxy)acetate
Also Known As: 2,4,5-T-1-octyl ester, 2,4,5-T octyl ester, Octyl (2,4,5-trichlorophenoxy)acetate, octyl 2-(2,4,5-trichlorophenoxy)acetate, octyl 2,4,5-trichloro-phenoxyacetate
Technical Specifications
| Molecular Formula | C16H21Cl3O3 |
| Molecular Weight | 366.05563 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 366.05563 Da |
| Heavy Atoms | 22 |
| Complexity | 315.0 |
| SMILES | CCCCCCCCOC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | VXWISAHTAQYMSH-UHFFFAOYSA-N |
Chemical Property Profile of Octyl (2,4,5-trichlorophenoxy)acetate
Property Insights of Octyl (2,4,5-trichlorophenoxy)acetate
The XLogP value of 7.1 indicates that Octyl (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, Octyl (2,4,5-trichlorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl (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 Octyl (2,4,5-trichlorophenoxy)acetate?
The CAS number of Octyl (2,4,5-trichlorophenoxy)acetate is 2630-15-1.
What is the molecular formula of Octyl (2,4,5-trichlorophenoxy)acetate?
The molecular formula of Octyl (2,4,5-trichlorophenoxy)acetate is C16H21Cl3O3.
What is the molecular weight of Octyl (2,4,5-trichlorophenoxy)acetate?
The molecular weight of Octyl (2,4,5-trichlorophenoxy)acetate is 366.05563 g/mol.
Where can I buy Octyl (2,4,5-trichlorophenoxy)acetate?
You can request a quote for Octyl (2,4,5-trichlorophenoxy)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octyl (2,4,5-trichlorophenoxy)acetate?
Yes, CoreyChem provides custom synthesis services for Octyl (2,4,5-trichlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.