2-Methylbutyl (2,4,5-trichlorophenoxy)acetate
TL;DR: 2-Methylbutyl (2,4,5-trichlorophenoxy)acetate (CAS 97635-44-4) is a chemical compound with molecular formula C13H15Cl3O3 and molecular weight 324.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbutyl 2-(2,4,5-trichlorophenoxy)acetate
Also Known As: 2-Methylbutyl (2,4,5-trichlorophenoxy)acetate, 2-METHYLBUTYL ACETATE, EINECS 307-404-9, 2-methylbutyl 2-(2,4,5-trichlorophenoxy)acetate, 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate
| Molecular Formula | C13H15Cl3O3 |
|---|---|
| Molecular Weight | 324.01 g/mol |
| LogP | 4.6149 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.00867 |
| Heavy Atoms | 19 |
| Complexity | 449.00473 |
Chemical Identifiers
| CAS Number | 97635-44-4 |
|---|---|
| SMILES | CCC(C)COC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl |
Product Overview
2-Methylbutyl (2,4,5-trichlorophenoxy)acetate (CAS 97635-44-4), with molecular formula C13H15Cl3O3 and molecular weight 324.01 g/mol. IUPAC: 2-methylbutyl 2-(2,4,5-trichlorophenoxy)acetate.
Chemical Property Profile of 2-Methylbutyl (2,4,5-trichlorophenoxy)acetate
Property Insights of 2-Methylbutyl (2,4,5-trichlorophenoxy)acetate
The XLogP value of 4.6149 indicates that 2-Methylbutyl (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, 2-Methylbutyl (2,4,5-trichlorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbutyl (2,4,5-trichlorophenoxy)acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methylbutyl (2,4,5-trichlorophenoxy)acetate?
The CAS number of 2-Methylbutyl (2,4,5-trichlorophenoxy)acetate is 97635-44-4.
What is the molecular formula of 2-Methylbutyl (2,4,5-trichlorophenoxy)acetate?
The molecular formula of 2-Methylbutyl (2,4,5-trichlorophenoxy)acetate is C13H15Cl3O3.
What is the molecular weight of 2-Methylbutyl (2,4,5-trichlorophenoxy)acetate?
The molecular weight of 2-Methylbutyl (2,4,5-trichlorophenoxy)acetate is 324.01 g/mol.
Where can I buy 2-Methylbutyl (2,4,5-trichlorophenoxy)acetate?
You can request a quote for 2-Methylbutyl (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 2-Methylbutyl (2,4,5-trichlorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbutyl (2,4,5-trichlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.