3-(4-Chlorophenyl)-2-butenoic acid ethyl ester
TL;DR: 3-(4-Chlorophenyl)-2-butenoic acid ethyl ester (CAS 628698-07-7) 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 (Z)-3-(4-chlorophenyl)but-2-enoate
Also Known As: ethyl 3-(4-chlorophenyl)but-2-enoate, 3-(4-Chlorophenyl)-2-butenoic acid ethyl ester, ETHYL (2Z)-3-(4-CHLOROPHENYL)BUT-2-ENOATE, ethyl (Z)-3-(4-chlorophenyl)but-2-enoate
| Molecular Formula | C12H13ClO2 |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 3.3064 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06041 |
| Heavy Atoms | 15 |
| Complexity | 365.71344 |
Chemical Identifiers
| CAS Number | 628698-07-7 |
|---|---|
| SMILES | CCOC(=O)/C=C(/C)\C1=CC=C(C=C1)Cl |
Product Overview
3-(4-Chlorophenyl)-2-butenoic acid ethyl ester (CAS 628698-07-7), with molecular formula C12H13ClO2 and molecular weight 224.06 g/mol. IUPAC: ethyl (Z)-3-(4-chlorophenyl)but-2-enoate.
Chemical Property Profile of 3-(4-Chlorophenyl)-2-butenoic acid ethyl ester
Property Insights of 3-(4-Chlorophenyl)-2-butenoic acid ethyl ester
The XLogP value of 3.3064 indicates that 3-(4-Chlorophenyl)-2-butenoic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(4-Chlorophenyl)-2-butenoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-2-butenoic acid ethyl ester 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 3-(4-Chlorophenyl)-2-butenoic acid ethyl ester?
The CAS number of 3-(4-Chlorophenyl)-2-butenoic acid ethyl ester is 628698-07-7.
What is the molecular formula of 3-(4-Chlorophenyl)-2-butenoic acid ethyl ester?
The molecular formula of 3-(4-Chlorophenyl)-2-butenoic acid ethyl ester is C12H13ClO2.
What is the molecular weight of 3-(4-Chlorophenyl)-2-butenoic acid ethyl ester?
The molecular weight of 3-(4-Chlorophenyl)-2-butenoic acid ethyl ester is 224.06 g/mol.
Where can I buy 3-(4-Chlorophenyl)-2-butenoic acid ethyl ester?
You can request a quote for 3-(4-Chlorophenyl)-2-butenoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-2-butenoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-2-butenoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.