![5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid structure](/static/products/831/831229-34-6.png)
5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
TL;DR: 5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid (CAS 831229-34-6) is a chemical compound with molecular formula C20H17N5O7S3 and molecular weight 535.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl]sulfanyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: 5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, 5-methyl-2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl]sulfanyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid, 5-methyl-2-((2-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-2-oxoethyl)thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, 5-methyl-2-{[({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamoyl)methyl]sulfanyl}-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid, 5-methyl-2-{[N-(4-{[(5-methylisoxazol-3-yl)amino]sulfonyl}phenyl)carbamoyl]met hylthio}-4-oxo-3-hydrothiopheno[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C20H17N5O7S3 |
|---|---|
| Molecular Weight | 535.03 g/mol |
| LogP | 2.81924 |
| Topological Polar Surface Area | 184.35 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.029 |
| Heavy Atoms | 35 |
| Complexity | 1604.2686 |
Chemical Identifiers
| CAS Number | 831229-34-6 |
|---|---|
| SMILES | CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(C(=C(S4)C(=O)O)C)C(=O)N3 |
Product Overview
5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid (CAS 831229-34-6), with molecular formula C20H17N5O7S3 and molecular weight 535.03 g/mol. IUPAC: 5-methyl-2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl]sulfanyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of 5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
Property Insights of 5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
The XLogP value of 2.81924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid. The TPSA of 184.35 Ų indicates high polarity, suggesting 5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-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, 5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
The CAS number of 5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid is 831229-34-6.
What is the molecular formula of 5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
The molecular formula of 5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid is C20H17N5O7S3.
What is the molecular weight of 5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
The molecular weight of 5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid is 535.03 g/mol.
Where can I buy 5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
You can request a quote for 5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-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 5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-2-({2-[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]-2-oxoethyl}thio)-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.