![2-((2-((4-(N-(3-carboxypropyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid structure](/static/products/868/868214-60-2.png)
2-((2-((4-(N-(3-carboxypropyl)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-(3-carboxypropyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid (CAS 868214-60-2) is a chemical compound with molecular formula C20H20N4O8S3 and molecular weight 540.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(3-carboxypropylsulfamoyl)anilino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: 2-((2-((4-(N-(3-carboxypropyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, 2-{[({4-[(3-carboxypropyl)sulfamoyl]phenyl}carbamoyl)methyl]sulfanyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid, 2-{[N-(4-{[(3-carboxypropyl)amino]sulfonyl}phenyl)carbamoyl]methylthio}-5-meth yl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidine-6-carboxylic acid, 2-[2-[4-(3-carboxypropylsulfamoyl)anilino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid, 2-[2-[4-[(4-hydroxy-4-oxobutyl)sulfamoyl]anilino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C20H20N4O8S3 |
|---|---|
| Molecular Weight | 540.04 g/mol |
| LogP | 1.86512 |
| Topological Polar Surface Area | 195.62 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 540.0443 |
| Heavy Atoms | 35 |
| Complexity | 1445.5157 |
Chemical Identifiers
| CAS Number | 868214-60-2 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCCC(=O)O)C(=O)O |
Product Overview
2-((2-((4-(N-(3-carboxypropyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid (CAS 868214-60-2), with molecular formula C20H20N4O8S3 and molecular weight 540.04 g/mol. IUPAC: 2-[2-[4-(3-carboxypropylsulfamoyl)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-(3-carboxypropyl)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-(3-carboxypropyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
The XLogP value of 1.86512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-((4-(N-(3-carboxypropyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid. The TPSA of 195.62 Ų indicates high polarity, suggesting 2-((2-((4-(N-(3-carboxypropyl)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-(3-carboxypropyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid has 5 hydrogen bond donor(s) and 9 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-(3-carboxypropyl)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-(3-carboxypropyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid is 868214-60-2.
What is the molecular formula of 2-((2-((4-(N-(3-carboxypropyl)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-(3-carboxypropyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid is C20H20N4O8S3.
What is the molecular weight of 2-((2-((4-(N-(3-carboxypropyl)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-(3-carboxypropyl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid is 540.04 g/mol.
Where can I buy 2-((2-((4-(N-(3-carboxypropyl)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-(3-carboxypropyl)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-(3-carboxypropyl)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-(3-carboxypropyl)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.