2,4-D异丙酯
TL;DR: 2,4-D异丙酯 (CAS 94-11-1) is a chemical compound with molecular formula C11H12Cl2O3 and molecular weight 262.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-D异丙酯
propan-2-yl 2-(2,4-dichlorophenoxy)acetate
Also Known As: 2,4-D ISOPROPYL ESTER, 2,4-D-Isopropyl, Niagara Estasol, Esteron 44, Weedone 128
| Molecular Formula | C11H12Cl2O3 |
|---|---|
| Molecular Weight | 262.02 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.01636 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
| Melting Point | 5-10 °C and 20-25 °C (two forms) |
| Boiling Point | 30 °C @ 1 mm Hg |
| Density | 1.255-1.270 @ 25 °C/25 °C |
| Solubility | Sol in alcohols and most oils /SRP: depends on pH; will hydrolyze at alkaline ph on prolonged standing/ |
| Flash Point | Greater than 79.4 °C (open cup) /2,4-D esters/ |
| Vapor Pressure | 0.000232 [mmHg] |
| Refractive Index | = 1.5209 @ 25 °C |
Chemical Identifiers
| CAS Number | 94-11-1 |
|---|---|
| SMILES | CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | WHOKDONDRZNCBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-D异丙酯 (CAS 94-11-1), with molecular formula C11H12Cl2O3 and molecular weight 262.02 g/mol. IUPAC: propan-2-yl 2-(2,4-dichlorophenoxy)acetate.
Chemical Property Profile of 2,4-D异丙酯
Property Insights of 2,4-D异丙酯
The XLogP value of 3.9 indicates that 2,4-D异丙酯 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异丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-D异丙酯 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 2,4-D异丙酯?
The CAS number of 2,4-D异丙酯 is 94-11-1.
What is the molecular formula of 2,4-D异丙酯?
The molecular formula of 2,4-D异丙酯 is C11H12Cl2O3.
What is the molecular weight of 2,4-D异丙酯?
The molecular weight of 2,4-D异丙酯 is 262.02 g/mol.
Where can I buy 2,4-D异丙酯?
You can request a quote for 2,4-D异丙酯 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异丙酯?
Yes, KEHONG BIO provides custom synthesis services for 2,4-D异丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.