Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate
TL;DR: Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate (CAS 57773-41-8) is a chemical compound with molecular formula C10H13NO3S and molecular weight 227.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate
Also Known As: ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate, 5-Acetyl-2-amino-4-methyl-thiophene-3-carboxylic acid ethyl ester, ethyl 5-acetyl-2-amino-4-methyl-thiophene-3-carboxylate, BAS 00293409, Ethyl 5-acetyl-2-amino-4-methyl-3-thiophenecarboxylate
| Molecular Formula | C10H13NO3S |
|---|---|
| Molecular Weight | 227.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.06161 |
| Heavy Atoms | 15 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 57773-41-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)C)N |
| InChIKey | BYBXJRFAEPGDLK-UHFFFAOYSA-N |
Product Overview
Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate (CAS 57773-41-8), with molecular formula C10H13NO3S and molecular weight 227.06 g/mol. IUPAC: ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate
Property Insights of Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate 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-amino-4-methylthiophene-3-carboxylate?
The CAS number of Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate is 57773-41-8.
What is the molecular formula of Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate?
The molecular formula of Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate is C10H13NO3S.
What is the molecular weight of Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate?
The molecular weight of Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate is 227.06 g/mol.
Where can I buy Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate?
You can request a quote for Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate 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-amino-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.