3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid
TL;DR: 3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid (CAS 175202-08-1) 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.
3-amino-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylic acid
Also Known As: Maybridge1_004563, 3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid, 3-amino-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylic acid, 2-Thiophenecarboxylicacid, 3-amino-4-[(1-methylethyl)sulfonyl]-5-(methylthio)-, I14-35118
| Molecular Formula | C9H13NO4S3 |
|---|---|
| Molecular Weight | 295.00 g/mol |
| LogP | 1.9325 |
| Topological Polar Surface Area | 97.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.00067 |
| Heavy Atoms | 17 |
| Complexity | 544.83234 |
Chemical Identifiers
| CAS Number | 175202-08-1 |
|---|---|
| SMILES | CC(C)S(=O)(=O)C1=C(SC(=C1N)C(=O)O)SC |
Product Overview
3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid (CAS 175202-08-1), with molecular formula C9H13NO4S3 and molecular weight 295.00 g/mol. IUPAC: 3-amino-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylic acid.
Chemical Property Profile of 3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid
Property Insights of 3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid
The XLogP value of 1.9325 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid. The TPSA of 97.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid has 2 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 3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid?
The CAS number of 3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid is 175202-08-1.
What is the molecular formula of 3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid?
The molecular formula of 3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid is C9H13NO4S3.
What is the molecular weight of 3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid?
The molecular weight of 3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid is 295.00 g/mol.
Where can I buy 3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid?
You can request a quote for 3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.