2,4-D n-butyl ester
TL;DR: 2,4-D n-butyl ester (CAS 94-80-4) is a chemical compound with molecular formula C12H14Cl2O3 and molecular weight 276.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(2,4-dichlorophenoxy)acetate
Also Known As: Lironox, Fernesta, 2,4-D BUTYL ESTER, Butyl 2,4-dichlorophenoxyacetate, 2,4-D-butyl
| Molecular Formula | C12H14Cl2O3 |
|---|---|
| Molecular Weight | 276.03 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 276.032 |
| Heavy Atoms | 17 |
| Complexity | 236.0 |
| Melting Point | 9 °C |
| Boiling Point | 295 to 147.2 °C at 1 mmHg |
| Density | 1.235 to 1.245 at 20.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | Greater than 79.4 °C (open cup) /2,4-D esters/ |
| Vapor Pressure | 0.0000616 [mmHg] |
Chemical Identifiers
| CAS Number | 94-80-4 |
|---|---|
| SMILES | CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | UQMRAFJOBWOFNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-D n-butyl ester (CAS 94-80-4), with molecular formula C12H14Cl2O3 and molecular weight 276.03 g/mol. IUPAC: butyl 2-(2,4-dichlorophenoxy)acetate.
Chemical Property Profile of 2,4-D n-butyl ester
Property Insights of 2,4-D n-butyl ester
The XLogP value of 4.4 indicates that 2,4-D n-butyl 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 n-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-D n-butyl ester 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 n-butyl ester?
The CAS number of 2,4-D n-butyl ester is 94-80-4.
What is the molecular formula of 2,4-D n-butyl ester?
The molecular formula of 2,4-D n-butyl ester is C12H14Cl2O3.
What is the molecular weight of 2,4-D n-butyl ester?
The molecular weight of 2,4-D n-butyl ester is 276.03 g/mol.
Where can I buy 2,4-D n-butyl ester?
You can request a quote for 2,4-D n-butyl 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 n-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,4-D n-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.