Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate
TL;DR: Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate (CAS 175202-72-9) is a chemical compound with molecular formula C11H17NO4S3 and molecular weight 323.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate
Also Known As: Maybridge1_004975, Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate, 4-Acetamido-2,2,6,6-tetramethylpiperidine, ethyl 3-amino-5-(methylsulfanyl)-4-(propane-2-sulfonyl)thiophene-2-carboxylate, ethyl 3-amino-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate
| Molecular Formula | C11H17NO4S3 |
|---|---|
| Molecular Weight | 323.03 g/mol |
| LogP | 2.411 |
| Topological Polar Surface Area | 86.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.03198 |
| Heavy Atoms | 19 |
| Complexity | 575.0059 |
Chemical Identifiers
| CAS Number | 175202-72-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)SC)S(=O)(=O)C(C)C)N |
Product Overview
Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate (CAS 175202-72-9), with molecular formula C11H17NO4S3 and molecular weight 323.03 g/mol. IUPAC: ethyl 3-amino-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate
Property Insights of Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate
The XLogP value of 2.411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate. The TPSA of 86.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 7 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-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate?
The CAS number of Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate is 175202-72-9.
What is the molecular formula of Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate?
The molecular formula of Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate is C11H17NO4S3.
What is the molecular weight of Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate?
The molecular weight of Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate is 323.03 g/mol.
Where can I buy Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate?
You can request a quote for Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.