4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)acetate
TL;DR: 4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)acetate (CAS 2971-38-2) is a chemical compound with molecular formula C12H11Cl3O3 and molecular weight 307.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobut-2-enyl 2-(2,4-dichlorophenoxy)acetate
Also Known As: Crotilin, Crotiline, Crotylin, Krotilin, Krotiline
| Molecular Formula | C12H11Cl3O3 |
|---|---|
| Molecular Weight | 307.98 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.9774 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
| Solubility | ESTER FORMULATIONS HAVE LOW SOLUBILITY IN WATER. /2,4-D; SRP: THEY CAN BE DISPERSED AS AQUEOUS EMULSIONS/ |
| Flash Point | Greater than 79.4 °C (open cup) /2,4-D esters/ |
| Vapor Pressure | 0.0000065 [mmHg] |
Chemical Identifiers
| CAS Number | 2971-38-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)OCC(=O)OCC=CCCl |
| InChIKey | NEVMZYLKPFGDJB-UHFFFAOYSA-N |
Product Overview
4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)acetate (CAS 2971-38-2), with molecular formula C12H11Cl3O3 and molecular weight 307.98 g/mol. IUPAC: 4-chlorobut-2-enyl 2-(2,4-dichlorophenoxy)acetate.
Chemical Property Profile of 4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)acetate
Property Insights of 4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)acetate
The XLogP value of 4.0 indicates that 4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)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, 4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)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 4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)acetate?
The CAS number of 4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)acetate is 2971-38-2.
What is the molecular formula of 4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)acetate?
The molecular formula of 4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)acetate is C12H11Cl3O3.
What is the molecular weight of 4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)acetate?
The molecular weight of 4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)acetate is 307.98 g/mol.
Where can I buy 4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)acetate?
You can request a quote for 4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-buten-1-yl 2-(2,4-dichlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.