2,4-D 2-Ethyl-4-methylpentyl ester
TL;DR: 2,4-D 2-Ethyl-4-methylpentyl ester (CAS 53404-37-8) is a chemical compound with molecular formula C16H22Cl2O3 and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethyl-4-methylpentyl) 2-(2,4-dichlorophenoxy)acetate
Also Known As: Caswell No. 315AT, 2,4-D 2-ethyl-4-methylpentyl ester, 2,4-D 2 ethyl-4-methylpentyl ester, EPA Pesticide Chemical Code 030064, (2-ethyl-4-methylpentyl) 2-(2,4-dichlorophenoxy)acetate
| Molecular Formula | C16H22Cl2O3 |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 332.0946 |
| Heavy Atoms | 21 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 53404-37-8 |
|---|---|
| SMILES | CCC(CC(C)C)COC(=O)COC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | FWXSAXJNSVIOLZ-UHFFFAOYSA-N |
Product Overview
2,4-D 2-Ethyl-4-methylpentyl ester (CAS 53404-37-8), with molecular formula C16H22Cl2O3 and molecular weight 332.09 g/mol. IUPAC: (2-ethyl-4-methylpentyl) 2-(2,4-dichlorophenoxy)acetate.
Chemical Property Profile of 2,4-D 2-Ethyl-4-methylpentyl ester
Property Insights of 2,4-D 2-Ethyl-4-methylpentyl ester
The XLogP value of 6.0 indicates that 2,4-D 2-Ethyl-4-methylpentyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2,4-D 2-Ethyl-4-methylpentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-D 2-Ethyl-4-methylpentyl ester 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 2,4-D 2-Ethyl-4-methylpentyl ester?
The CAS number of 2,4-D 2-Ethyl-4-methylpentyl ester is 53404-37-8.
What is the molecular formula of 2,4-D 2-Ethyl-4-methylpentyl ester?
The molecular formula of 2,4-D 2-Ethyl-4-methylpentyl ester is C16H22Cl2O3.
What is the molecular weight of 2,4-D 2-Ethyl-4-methylpentyl ester?
The molecular weight of 2,4-D 2-Ethyl-4-methylpentyl ester is 332.09 g/mol.
Where can I buy 2,4-D 2-Ethyl-4-methylpentyl ester?
You can request a quote for 2,4-D 2-Ethyl-4-methylpentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-D 2-Ethyl-4-methylpentyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,4-D 2-Ethyl-4-methylpentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.