Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate
TL;DR: Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate (CAS 296263-65-5) 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 5-acetyl-2-benzamido-4-methylthiophene-3-carboxylate
Also Known As: BAS 00381217, Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate, ethyl 5-acetyl-2-benzamido-4-methylthiophene-3-carboxylate, AE-848/32309038, A0451/0020794
| Molecular Formula | C17H17NO4S |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.08783 |
| Heavy Atoms | 23 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 296263-65-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=CC=CC=C2 |
| InChIKey | YRJGAUBZFXICBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate (CAS 296263-65-5), with molecular formula C17H17NO4S and molecular weight 331.09 g/mol. IUPAC: ethyl 5-acetyl-2-benzamido-4-methylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate
Property Insights of Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate
The XLogP value of 3.9 indicates that Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 5 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 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate?
The CAS number of Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate is 296263-65-5.
What is the molecular formula of Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate?
The molecular formula of Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate is C17H17NO4S.
What is the molecular weight of Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate?
The molecular weight of Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate is 331.09 g/mol.
Where can I buy Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate?
You can request a quote for Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-acetyl-2-(benzoylamino)-4-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.