![2-((2-((4-(2-ethoxy-2-oxoethyl)thiazol-2-yl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid structure](/static/products/7122/712284-11-2.webp)
2-((2-((4-(2-ethoxy-2-oxoethyl)thiazol-2-yl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
TL;DR: 2-((2-((4-(2-ethoxy-2-oxoethyl)thiazol-2-yl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid (CAS 712284-11-2) is a chemical compound with molecular formula C17H16N4O6S3 and molecular weight 468.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: 2-((2-((4-(2-ethoxy-2-oxoethyl)thiazol-2-yl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, 2-[({[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl}methyl)sulfanyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid, 2-[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid, 2-[(2-{[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, 2-[(2-{[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C17H16N4O6S3 |
|---|---|
| Molecular Weight | 468.02 g/mol |
| LogP | 2.28412 |
| Topological Polar Surface Area | 151.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.0232 |
| Heavy Atoms | 30 |
| Complexity | 1182.0758 |
Chemical Identifiers
| CAS Number | 712284-11-2 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2 |
Product Overview
2-((2-((4-(2-ethoxy-2-oxoethyl)thiazol-2-yl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid (CAS 712284-11-2), with molecular formula C17H16N4O6S3 and molecular weight 468.02 g/mol. IUPAC: 2-[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of 2-((2-((4-(2-ethoxy-2-oxoethyl)thiazol-2-yl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
Property Insights of 2-((2-((4-(2-ethoxy-2-oxoethyl)thiazol-2-yl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
The XLogP value of 2.28412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-((4-(2-ethoxy-2-oxoethyl)thiazol-2-yl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid. The TPSA of 151.34 Ų indicates high polarity, suggesting 2-((2-((4-(2-ethoxy-2-oxoethyl)thiazol-2-yl)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-(2-ethoxy-2-oxoethyl)thiazol-2-yl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid has 3 hydrogen bond donor(s) and 10 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 2-((2-((4-(2-ethoxy-2-oxoethyl)thiazol-2-yl)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-(2-ethoxy-2-oxoethyl)thiazol-2-yl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid is 712284-11-2.
What is the molecular formula of 2-((2-((4-(2-ethoxy-2-oxoethyl)thiazol-2-yl)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-(2-ethoxy-2-oxoethyl)thiazol-2-yl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid is C17H16N4O6S3.
What is the molecular weight of 2-((2-((4-(2-ethoxy-2-oxoethyl)thiazol-2-yl)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-(2-ethoxy-2-oxoethyl)thiazol-2-yl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid is 468.02 g/mol.
Where can I buy 2-((2-((4-(2-ethoxy-2-oxoethyl)thiazol-2-yl)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-(2-ethoxy-2-oxoethyl)thiazol-2-yl)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-(2-ethoxy-2-oxoethyl)thiazol-2-yl)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-(2-ethoxy-2-oxoethyl)thiazol-2-yl)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.