(E)-3-(4-Acetyl-phenyl)-acrylic acid butyl ester
TL;DR: (E)-3-(4-Acetyl-phenyl)-acrylic acid butyl ester (CAS 173464-57-8) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl (E)-3-(4-acetylphenyl)prop-2-enoate
Also Known As: 4-Acetylcinnamic acid butyl ester, (E)-3-(4-Acetyl-phenyl)-acrylic acid butyl ester, 4-Acetylbenzeneacrylic acid butyl ester, (e)-butyl-3-(4-acetyl-phenyl)acrylate, 4-Acetyl-trans-cinnamic acid butyl ester
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 3.2457 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 429.55685 |
Chemical Identifiers
| CAS Number | 173464-57-8 |
|---|---|
| SMILES | CCCCOC(=O)/C=C/C1=CC=C(C=C1)C(=O)C |
Product Overview
(E)-3-(4-Acetyl-phenyl)-acrylic acid butyl ester (CAS 173464-57-8), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: butyl (E)-3-(4-acetylphenyl)prop-2-enoate.
Chemical Property Profile of (E)-3-(4-Acetyl-phenyl)-acrylic acid butyl ester
Property Insights of (E)-3-(4-Acetyl-phenyl)-acrylic acid butyl ester
The XLogP value of 3.2457 indicates that (E)-3-(4-Acetyl-phenyl)-acrylic acid butyl 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, (E)-3-(4-Acetyl-phenyl)-acrylic acid butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(4-Acetyl-phenyl)-acrylic acid butyl 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 (E)-3-(4-Acetyl-phenyl)-acrylic acid butyl ester?
The CAS number of (E)-3-(4-Acetyl-phenyl)-acrylic acid butyl ester is 173464-57-8.
What is the molecular formula of (E)-3-(4-Acetyl-phenyl)-acrylic acid butyl ester?
The molecular formula of (E)-3-(4-Acetyl-phenyl)-acrylic acid butyl ester is C15H18O3.
What is the molecular weight of (E)-3-(4-Acetyl-phenyl)-acrylic acid butyl ester?
The molecular weight of (E)-3-(4-Acetyl-phenyl)-acrylic acid butyl ester is 246.13 g/mol.
Where can I buy (E)-3-(4-Acetyl-phenyl)-acrylic acid butyl ester?
You can request a quote for (E)-3-(4-Acetyl-phenyl)-acrylic acid butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-Acetyl-phenyl)-acrylic acid butyl ester?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-Acetyl-phenyl)-acrylic acid butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.