![2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid structure](/static/products/7421/742118-89-4.webp)
2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid
TL;DR: 2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid (CAS 742118-89-4) is a chemical compound with molecular formula C13H14N2O7S2 and molecular weight 374.02423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfonyl]acetic acid
Also Known As: 2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid, ({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]methyl}sulfonyl)acetic acid, 6-Ethyl 2-[[(carboxymethyl)sulfonyl]methyl]-1,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate, 2-[(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfonyl]acetic acid, 2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methane}sulfonyl)acetic acid
Technical Specifications
| Molecular Formula | C13H14N2O7S2 |
| Molecular Weight | 374.02423 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.02423 Da |
| Heavy Atoms | 24 |
| Complexity | 683.0 |
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CS(=O)(=O)CC(=O)O)C |
| InChIKey | CBRVVMSHCCIUTQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid
Property Insights of 2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid. The TPSA of 176.0 Ų indicates high polarity, suggesting 2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid?
The CAS number of 2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid is 742118-89-4.
What is the molecular formula of 2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid?
The molecular formula of 2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid is C13H14N2O7S2.
What is the molecular weight of 2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid?
The molecular weight of 2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid is 374.02423 g/mol.
Where can I buy 2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid?
You can request a quote for 2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-{[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methanesulfonyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.