2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate
TL;DR: 2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate (CAS 374550-28-4) is a chemical compound with molecular formula C19H14O3S and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyl-1-benzothiophen-3-yl) (E)-3-phenylprop-2-enoate
Also Known As: 2-acetylbenzo[b]thiophen-3-yl cinnamate, 2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate, (2-acetyl-1-benzothiophen-3-yl) (E)-3-phenylprop-2-enoate
| Molecular Formula | C19H14O3S |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | 4.7227 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.06638 |
| Heavy Atoms | 23 |
| Complexity | 891.37854 |
Chemical Identifiers
| CAS Number | 374550-28-4 |
|---|---|
| SMILES | CC(=O)C1=C(C2=CC=CC=C2S1)OC(=O)/C=C/C3=CC=CC=C3 |
Product Overview
2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate (CAS 374550-28-4), with molecular formula C19H14O3S and molecular weight 322.07 g/mol. IUPAC: (2-acetyl-1-benzothiophen-3-yl) (E)-3-phenylprop-2-enoate.
Chemical Property Profile of 2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate
Property Insights of 2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate
The XLogP value of 4.7227 indicates that 2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-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, 2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate 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 2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate?
The CAS number of 2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate is 374550-28-4.
What is the molecular formula of 2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate?
The molecular formula of 2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate is C19H14O3S.
What is the molecular weight of 2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate?
The molecular weight of 2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate is 322.07 g/mol.
Where can I buy 2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate?
You can request a quote for 2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2-acetyl-1-benzothiophen-3-yl (2E)-3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.