2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene
TL;DR: 2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene (CAS 17423-23-3) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(2-acetyloxyethyl)-2-amino-4-methylthiophene-3-carboxylate
Also Known As: J1.471.355G, 2-amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene, Ethyl 5-(2-acetoxyethyl)-2-amino-4-methylthiophene-3-carboxylate, ethyl 5-(2-acetyloxyethyl)-2-amino-4-methylthiophene-3-carboxylate, 2-Amino-4-methyl-5-(2-acetoxyethyl)-3-thiophenecarboxylic acid ethyl ester
| Molecular Formula | C12H17NO4S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 1.92102 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.08783 |
| Heavy Atoms | 18 |
| Complexity | 453.17505 |
Chemical Identifiers
| CAS Number | 17423-23-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)CCOC(=O)C)N |
Product Overview
2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene (CAS 17423-23-3), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: ethyl 5-(2-acetyloxyethyl)-2-amino-4-methylthiophene-3-carboxylate.
Chemical Property Profile of 2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene
Property Insights of 2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene
The XLogP value of 1.92102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene. Following Lipinski's Rule of Five, 2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene 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 2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene?
The CAS number of 2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene is 17423-23-3.
What is the molecular formula of 2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene?
The molecular formula of 2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene is C12H17NO4S.
What is the molecular weight of 2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene?
The molecular weight of 2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene is 271.09 g/mol.
Where can I buy 2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene?
You can request a quote for 2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-ethoxycarbonyl-4-methyl-5-acetoxyethylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.