1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate
TL;DR: 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate (CAS 93941-82-3) is a chemical compound with molecular formula C14H17Cl3O3 and molecular weight 338.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpentan-2-yl 2-(2,4,5-trichlorophenoxy)acetate
Also Known As: EINECS 300-532-6, 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate, 4-methylpentan-2-yl 2-(2,4,5-trichlorophenoxy)acetate, 4-Methylpentan-2-yl (2,4,5-trichlorophenoxy)acetate, 2-(2,4,5-Trichlorophenoxy)acetic acid 1,3-dimethylbutyl ester
| Molecular Formula | C14H17Cl3O3 |
|---|---|
| Molecular Weight | 338.02 g/mol |
| LogP | 5.0034 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.02432 |
| Heavy Atoms | 20 |
| Complexity | 474.97708 |
Chemical Identifiers
| CAS Number | 93941-82-3 |
|---|---|
| SMILES | CC(C)CC(C)OC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl |
Product Overview
1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate (CAS 93941-82-3), with molecular formula C14H17Cl3O3 and molecular weight 338.02 g/mol. IUPAC: 4-methylpentan-2-yl 2-(2,4,5-trichlorophenoxy)acetate.
Chemical Property Profile of 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate
Property Insights of 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate
The XLogP value of 5.0034 indicates that 1,3-Dimethylbutyl 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 35.53 Ų, 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethylbutyl 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
Frequently Asked Questions
What is the CAS number of 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate?
The CAS number of 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate is 93941-82-3.
What is the molecular formula of 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate?
The molecular formula of 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate is C14H17Cl3O3.
What is the molecular weight of 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate?
The molecular weight of 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate is 338.02 g/mol.
Where can I buy 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate?
You can request a quote for 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.