Ethyl 3-amino-4-(methylsulfonyl)-5-(methylthio)thiophene-2-carboxylate
TL;DR: Ethyl 3-amino-4-(methylsulfonyl)-5-(methylthio)thiophene-2-carboxylate (CAS 519056-53-2) is a chemical compound with molecular formula C9H13NO4S3 and molecular weight 295.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxylate
Also Known As: Maybridge3_003993, ethyl 3-amino-4-(methylsulfonyl)-5-(methylthio)thiophene-2-carboxylate, IDI1_015380, ethyl 3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxylate, I14-100813
| Molecular Formula | C9H13NO4S3 |
|---|---|
| Molecular Weight | 295.00 g/mol |
| LogP | 1.6324 |
| Topological Polar Surface Area | 86.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.00067 |
| Heavy Atoms | 17 |
| Complexity | 532.681 |
Chemical Identifiers
| CAS Number | 519056-53-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)SC)S(=O)(=O)C)N |
Product Overview
Ethyl 3-amino-4-(methylsulfonyl)-5-(methylthio)thiophene-2-carboxylate (CAS 519056-53-2), with molecular formula C9H13NO4S3 and molecular weight 295.00 g/mol. IUPAC: ethyl 3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 3-amino-4-(methylsulfonyl)-5-(methylthio)thiophene-2-carboxylate
Property Insights of Ethyl 3-amino-4-(methylsulfonyl)-5-(methylthio)thiophene-2-carboxylate
The XLogP value of 1.6324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-4-(methylsulfonyl)-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-(methylsulfonyl)-5-(methylthio)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-amino-4-(methylsulfonyl)-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-(methylsulfonyl)-5-(methylthio)thiophene-2-carboxylate?
The CAS number of Ethyl 3-amino-4-(methylsulfonyl)-5-(methylthio)thiophene-2-carboxylate is 519056-53-2.
What is the molecular formula of Ethyl 3-amino-4-(methylsulfonyl)-5-(methylthio)thiophene-2-carboxylate?
The molecular formula of Ethyl 3-amino-4-(methylsulfonyl)-5-(methylthio)thiophene-2-carboxylate is C9H13NO4S3.
What is the molecular weight of Ethyl 3-amino-4-(methylsulfonyl)-5-(methylthio)thiophene-2-carboxylate?
The molecular weight of Ethyl 3-amino-4-(methylsulfonyl)-5-(methylthio)thiophene-2-carboxylate is 295.00 g/mol.
Where can I buy Ethyl 3-amino-4-(methylsulfonyl)-5-(methylthio)thiophene-2-carboxylate?
You can request a quote for Ethyl 3-amino-4-(methylsulfonyl)-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-(methylsulfonyl)-5-(methylthio)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-4-(methylsulfonyl)-5-(methylthio)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.