![2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid structure](/static/products/7122/712284-06-5.webp)
2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
TL;DR: 2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid (CAS 712284-06-5) is a chemical compound with molecular formula C20H22N4O6S3 and molecular weight 510.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(tert-butylsulfamoyl)anilino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: 2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, 2-[({[4-(tert-butylsulfamoyl)phenyl]carbamoyl}methyl)sulfanyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid, 2-[2-[4-(tert-butylsulfamoyl)anilino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid, 2-{[2-({4-[(tert-butylamino)sulfonyl]phenyl}amino)-2-oxoethyl]thio}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, 2-{[N-(4-{[(tert-butyl)amino]sulfonyl}phenyl)carbamoyl]methylthio}-5-methyl-4- oxo-3-hydrothiopheno[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C20H22N4O6S3 |
|---|---|
| Molecular Weight | 510.07 g/mol |
| LogP | 2.79882 |
| Topological Polar Surface Area | 158.32 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 510.07016 |
| Heavy Atoms | 33 |
| Complexity | 1386.1515 |
Chemical Identifiers
| CAS Number | 712284-06-5 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC(C)(C)C)C(=O)O |
Product Overview
2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid (CAS 712284-06-5), with molecular formula C20H22N4O6S3 and molecular weight 510.07 g/mol. IUPAC: 2-[2-[4-(tert-butylsulfamoyl)anilino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of 2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
Property Insights of 2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
The XLogP value of 2.79882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid. The TPSA of 158.32 Ų indicates high polarity, suggesting 2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
The CAS number of 2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid is 712284-06-5.
What is the molecular formula of 2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
The molecular formula of 2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid is C20H22N4O6S3.
What is the molecular weight of 2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
The molecular weight of 2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid is 510.07 g/mol.
Where can I buy 2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
You can request a quote for 2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.