Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate
TL;DR: Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate (CAS 133291-69-7) is a chemical compound with molecular formula C17H17NO4S and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate
Also Known As: ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate, BAS 00439842, BIM-0027598.P001, ethyl (4-acetyl-5-anilino-2-thenoyl)acetate, ethyl 3-(4-acetyl-5-(phenylamino)thiophen-2-yl)-3-oxopropanoate
| Molecular Formula | C17H17NO4S |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 3.8302 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.08783 |
| Heavy Atoms | 23 |
| Complexity | 721.4495 |
Chemical Identifiers
| CAS Number | 133291-69-7 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC(=C(S1)NC2=CC=CC=C2)C(=O)C |
Product Overview
Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate (CAS 133291-69-7), with molecular formula C17H17NO4S and molecular weight 331.09 g/mol. IUPAC: ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate
Property Insights of Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate
The XLogP value of 3.8302 indicates that Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate has 1 hydrogen bond donor(s) and 6 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 Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate?
The CAS number of Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate is 133291-69-7.
What is the molecular formula of Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate?
The molecular formula of Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate is C17H17NO4S.
What is the molecular weight of Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate?
The molecular weight of Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate is 331.09 g/mol.
Where can I buy Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate?
You can request a quote for Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-acetyl-5-anilinothiophen-2-yl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.