3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate
TL;DR: 3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate (CAS 74592-66-8) is a chemical compound with molecular formula C17H23Cl3O3 and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethylhexyl 2-(2,4,5-trichlorophenoxy)acetate
Also Known As: EINECS 277-935-8, 3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate, 3,5,5-trimethylhexyl 2-(2,4,5-trichlorophenoxy)acetate, 3,5,5-Trimethylhexyl (2,4,5-trichlorophenoxy)acetate, (2,4,5-Trichlorophenoxy)acetic acid 3,5,5-trimethylhexyl ester
| Molecular Formula | C17H23Cl3O3 |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 6.0312 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.0713 |
| Heavy Atoms | 23 |
| Complexity | 538.6205 |
Chemical Identifiers
| CAS Number | 74592-66-8 |
|---|---|
| SMILES | CC(CCOC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl)CC(C)(C)C |
Product Overview
3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate (CAS 74592-66-8), with molecular formula C17H23Cl3O3 and molecular weight 380.07 g/mol. IUPAC: 3,5,5-trimethylhexyl 2-(2,4,5-trichlorophenoxy)acetate.
Chemical Property Profile of 3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate
Property Insights of 3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate
The XLogP value of 6.0312 indicates that 3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate 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 3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate?
The CAS number of 3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate is 74592-66-8.
What is the molecular formula of 3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate?
The molecular formula of 3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate is C17H23Cl3O3.
What is the molecular weight of 3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate?
The molecular weight of 3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate is 380.07 g/mol.
Where can I buy 3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate?
You can request a quote for 3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-Trimethylhexyl 2,4,5-trichlorophenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.