ethyl 3-(4-chlorophenyl)but-2-enoate
TL;DR: ethyl 3-(4-chlorophenyl)but-2-enoate (CAS 21757-98-2) is a chemical compound with molecular formula C12H13ClO2 and molecular weight 224.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-chlorophenyl)but-2-enoate
Also Known As: ethyl 3-(4-chlorophenyl)but-2-enoate, ethyl (E)-3-(4-chlorophenyl)-2-butenoate, Ethyl-3-(4-chlorophenyl)-but-2-enoate, NCI60_006776, 2-Butenoic acid,3-(4-chlorophenyl)-,ethyl ester,(2E)
| Molecular Formula | C12H13ClO2 |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.06041 |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 21757-98-2 |
|---|---|
| SMILES | CCOC(=O)C=C(C)C1=CC=C(C=C1)Cl |
| InChIKey | WMMPVJPERVUHJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 3-(4-chlorophenyl)but-2-enoate (CAS 21757-98-2), with molecular formula C12H13ClO2 and molecular weight 224.06 g/mol. IUPAC: ethyl 3-(4-chlorophenyl)but-2-enoate.
Chemical Property Profile of ethyl 3-(4-chlorophenyl)but-2-enoate
Property Insights of ethyl 3-(4-chlorophenyl)but-2-enoate
The XLogP value of 3.8 indicates that ethyl 3-(4-chlorophenyl)but-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, ethyl 3-(4-chlorophenyl)but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-(4-chlorophenyl)but-2-enoate has 0 hydrogen bond donor(s) and 2 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 ethyl 3-(4-chlorophenyl)but-2-enoate?
The CAS number of ethyl 3-(4-chlorophenyl)but-2-enoate is 21757-98-2.
What is the molecular formula of ethyl 3-(4-chlorophenyl)but-2-enoate?
The molecular formula of ethyl 3-(4-chlorophenyl)but-2-enoate is C12H13ClO2.
What is the molecular weight of ethyl 3-(4-chlorophenyl)but-2-enoate?
The molecular weight of ethyl 3-(4-chlorophenyl)but-2-enoate is 224.06 g/mol.
Where can I buy ethyl 3-(4-chlorophenyl)but-2-enoate?
You can request a quote for ethyl 3-(4-chlorophenyl)but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(4-chlorophenyl)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(4-chlorophenyl)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.