1-Methylethyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate
TL;DR: 1-Methylethyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate (CAS 53548-36-0) 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.
propan-2-yl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate
Also Known As: 1-Methylethyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate, 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, 1-methylethyl ester (E)-, propan-2-yl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate, Propan-2-yl (2E)-3-(2,4-dichlorophenoxy)prop-2-enoate
| Molecular Formula | C12H12Cl2O3 |
|---|---|
| Molecular Weight | 274.02 g/mol |
| LogP | 3.8375 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.01636 |
| Heavy Atoms | 17 |
| Complexity | 427.75897 |
Chemical Identifiers
| CAS Number | 53548-36-0 |
|---|---|
| SMILES | CC(C)OC(=O)/C=C/OC1=C(C=C(C=C1)Cl)Cl |
Product Overview
1-Methylethyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate (CAS 53548-36-0), with molecular formula C12H12Cl2O3 and molecular weight 274.02 g/mol. IUPAC: propan-2-yl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate.
Chemical Property Profile of 1-Methylethyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate
Property Insights of 1-Methylethyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate
The XLogP value of 3.8375 indicates that 1-Methylethyl (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, 1-Methylethyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylethyl (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 1-Methylethyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate?
The CAS number of 1-Methylethyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate is 53548-36-0.
What is the molecular formula of 1-Methylethyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate?
The molecular formula of 1-Methylethyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate is C12H12Cl2O3.
What is the molecular weight of 1-Methylethyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate?
The molecular weight of 1-Methylethyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate is 274.02 g/mol.
Where can I buy 1-Methylethyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate?
You can request a quote for 1-Methylethyl (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 1-Methylethyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylethyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.