(E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate
TL;DR: (E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate (CAS 302941-29-3) is a chemical compound with molecular formula C17H21ClO3 and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate
Also Known As: (E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate, ethyl (E)-5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate, ethyl (4E)-5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate
| Molecular Formula | C17H21ClO3 |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 4.2918 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.11792 |
| Heavy Atoms | 21 |
| Complexity | 513.3417 |
Chemical Identifiers
| CAS Number | 302941-29-3 |
|---|---|
| SMILES | CCC(CC)(C(=O)/C=C/C1=CC=C(C=C1)Cl)C(=O)OCC |
Product Overview
(E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate (CAS 302941-29-3), with molecular formula C17H21ClO3 and molecular weight 308.12 g/mol. IUPAC: ethyl (E)-5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate.
Chemical Property Profile of (E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate
Property Insights of (E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate
The XLogP value of 4.2918 indicates that (E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, (E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate 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 (E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate?
The CAS number of (E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate is 302941-29-3.
What is the molecular formula of (E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate?
The molecular formula of (E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate is C17H21ClO3.
What is the molecular weight of (E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate?
The molecular weight of (E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate is 308.12 g/mol.
Where can I buy (E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate?
You can request a quote for (E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.