2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester
TL;DR: 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester (CAS 87148-01-4) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 2-acetyl-5-phenylpenta-2,4-dienoate
Also Known As: 2-Ethylhexyl 2-acetyl-5-phenylpenta-2,4-dienoate, 2-ethylhexyl2-acetyl-5-phenylpenta-2,4-dienoate, 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 4.9748 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 570.0065 |
Chemical Identifiers
| CAS Number | 87148-01-4 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C(=CC=CC1=CC=CC=C1)C(=O)C |
Product Overview
2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester (CAS 87148-01-4), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: 2-ethylhexyl 2-acetyl-5-phenylpenta-2,4-dienoate.
Chemical Property Profile of 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester
Property Insights of 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester
The XLogP value of 4.9748 indicates that 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester 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 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester?
The CAS number of 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester is 87148-01-4.
What is the molecular formula of 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester?
The molecular formula of 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester is C21H28O3.
What is the molecular weight of 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester?
The molecular weight of 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester is 328.20 g/mol.
Where can I buy 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester?
You can request a quote for 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, 2-ethylhexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.