Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate
TL;DR: Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate (CAS 53596-20-6) is a chemical compound with molecular formula C12H12Cl2O3 and molecular weight 274.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate
Also Known As: Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate, propyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate, 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, propyl ester, (E)-
| Molecular Formula | C12H12Cl2O3 |
|---|---|
| Molecular Weight | 274.02 g/mol |
| LogP | 3.8391 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.01636 |
| Heavy Atoms | 17 |
| Complexity | 416.21182 |
Chemical Identifiers
| CAS Number | 53596-20-6 |
|---|---|
| SMILES | CCCOC(=O)/C=C/OC1=C(C=C(C=C1)Cl)Cl |
Product Overview
Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate (CAS 53596-20-6), with molecular formula C12H12Cl2O3 and molecular weight 274.02 g/mol. IUPAC: propyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate.
Chemical Property Profile of Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate
Property Insights of Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate
The XLogP value of 3.8391 indicates that Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate 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 Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate?
The CAS number of Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate is 53596-20-6.
What is the molecular formula of Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate?
The molecular formula of Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate is C12H12Cl2O3.
What is the molecular weight of Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate?
The molecular weight of Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate is 274.02 g/mol.
Where can I buy Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate?
You can request a quote for Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.