4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester
TL;DR: 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester (CAS 76352-65-3) is a chemical compound with molecular formula C15H16O4 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-3-oxo-5-phenylpent-4-enoate
Also Known As: ethyl 2-acetyl-3-oxo-5-phenylpent-4-enoate, ethyl (E)-2-acetyl-3-oxo-5-phenylpent-4-enoate, 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 76352-65-3 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)C(=O)C=CC1=CC=CC=C1 |
| InChIKey | OABDLSWGEMVREJ-UHFFFAOYSA-N |
Product Overview
4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester (CAS 76352-65-3), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: ethyl 2-acetyl-3-oxo-5-phenylpent-4-enoate.
Chemical Property Profile of 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester
Property Insights of 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester. Following Lipinski's Rule of Five, 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester has 0 hydrogen bond donor(s) and 4 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 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester?
The CAS number of 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester is 76352-65-3.
What is the molecular formula of 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester?
The molecular formula of 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester is C15H16O4.
What is the molecular weight of 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester?
The molecular weight of 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester is 260.10 g/mol.
Where can I buy 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester?
You can request a quote for 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenoic acid,2-acetyl-3-oxo-5-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.