3-Methylbutyl (2,4,5-trichlorophenoxy)acetate
TL;DR: 3-Methylbutyl (2,4,5-trichlorophenoxy)acetate (CAS 23197-61-7) 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.
3-methylbutyl 2-(2,4,5-trichlorophenoxy)acetate
Also Known As: 3-Methylbutyl acetate, 3-Methylbutyl (2,4,5-trichlorophenoxy)acetate, 3-methylbutyl 2-(2,4,5-trichlorophenoxy)acetate, 3-methylbutyl(2,4,5-trichlorophenoxy)acetate, (2,4,5-Trichlorophenoxy)acetic acid 3-methylbutyl ester
| Molecular Formula | C13H15Cl3O3 |
|---|---|
| Molecular Weight | 324.01 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 324.00867 |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 23197-61-7 |
|---|---|
| SMILES | CC(C)CCOC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | NFRJTLQGBCZKIU-UHFFFAOYSA-N |
Product Overview
3-Methylbutyl (2,4,5-trichlorophenoxy)acetate (CAS 23197-61-7), with molecular formula C13H15Cl3O3 and molecular weight 324.01 g/mol. IUPAC: 3-methylbutyl 2-(2,4,5-trichlorophenoxy)acetate.
Chemical Property Profile of 3-Methylbutyl (2,4,5-trichlorophenoxy)acetate
Property Insights of 3-Methylbutyl (2,4,5-trichlorophenoxy)acetate
The XLogP value of 5.3 indicates that 3-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 35.5 Ų, 3-Methylbutyl (2,4,5-trichlorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutyl (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 3-Methylbutyl (2,4,5-trichlorophenoxy)acetate?
The CAS number of 3-Methylbutyl (2,4,5-trichlorophenoxy)acetate is 23197-61-7.
What is the molecular formula of 3-Methylbutyl (2,4,5-trichlorophenoxy)acetate?
The molecular formula of 3-Methylbutyl (2,4,5-trichlorophenoxy)acetate is C13H15Cl3O3.
What is the molecular weight of 3-Methylbutyl (2,4,5-trichlorophenoxy)acetate?
The molecular weight of 3-Methylbutyl (2,4,5-trichlorophenoxy)acetate is 324.01 g/mol.
Where can I buy 3-Methylbutyl (2,4,5-trichlorophenoxy)acetate?
You can request a quote for 3-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 3-Methylbutyl (2,4,5-trichlorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutyl (2,4,5-trichlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.