Ethyl 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate
TL;DR: Ethyl 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate (CAS 393802-93-2) is a chemical compound with molecular formula C16H17NO3S and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-acetyl-5-anilino-3-methylthiophene-2-carboxylate
Also Known As: ethyl 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate, ethyl 4-acetyl-5-anilino-3-methylthiophene-2-carboxylate, 2405AE, ethyl 4-acetyl-3-methyl-5-(phenylamino)thiophene-2-carboxylate, ethylacetylanilinomethylthiophenecarboxylate
| Molecular Formula | C16H17NO3S |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 4.17942 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.09293 |
| Heavy Atoms | 21 |
| Complexity | 661.6617 |
Chemical Identifiers
| CAS Number | 393802-93-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC2=CC=CC=C2)C(=O)C)C |
Product Overview
Ethyl 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate (CAS 393802-93-2), with molecular formula C16H17NO3S and molecular weight 303.09 g/mol. IUPAC: ethyl 4-acetyl-5-anilino-3-methylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate
Property Insights of Ethyl 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate
The XLogP value of 4.17942 indicates that Ethyl 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-acetyl-5-anilino-3-methyl-2-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 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate?
The CAS number of Ethyl 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate is 393802-93-2.
What is the molecular formula of Ethyl 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate?
The molecular formula of Ethyl 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate is C16H17NO3S.
What is the molecular weight of Ethyl 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate?
The molecular weight of Ethyl 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate is 303.09 g/mol.
Where can I buy Ethyl 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate?
You can request a quote for Ethyl 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-acetyl-5-anilino-3-methyl-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.