TL;DR: Thieno(2,3-d)pyrimidine-6-acetic acid, 3,4-dihydro-5-methyl-4-oxo- (CAS 105523-01-1) is a chemical compound with molecular formula C9H8N2O3S and molecular weight 224.02556 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)acetic acid
Also Known As: 4-Oxo-5-methylthieno(2,3-d)pyrimidine-6-acetic acid, Thieno(2,3-d)pyrimidine-6-acetic acid, 3,4-dihydro-5-methyl-4-oxo-, 3,4-Dihydro-5-methyl-4-oxothieno(2,3-d)pyrimidine-6-acetic acid, 2-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)acetic acid, Thieno[2,3-d]pyrimidine-6-aceticacid, 1,4-dihydro-5-methyl-4-oxo-
| Molecular Formula | C9H8N2O3S |
| Molecular Weight | 224.02556 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.02556 Da |
| Heavy Atoms | 15 |
| Complexity | 331.0 |
| SMILES | CC1=C(SC2=C1C(=O)NC=N2)CC(=O)O |
| InChIKey | NRULHUOUPOEOOQ-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thieno(2,3-d)pyrimidine-6-acetic acid, 3,4-dihydro-5-methyl-4-oxo-. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thieno(2,3-d)pyrimidine-6-acetic acid, 3,4-dihydro-5-methyl-4-oxo-. Following Lipinski's Rule of Five, Thieno(2,3-d)pyrimidine-6-acetic acid, 3,4-dihydro-5-methyl-4-oxo- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Thieno(2,3-d)pyrimidine-6-acetic acid, 3,4-dihydro-5-methyl-4-oxo- is 105523-01-1.
The molecular formula of Thieno(2,3-d)pyrimidine-6-acetic acid, 3,4-dihydro-5-methyl-4-oxo- is C9H8N2O3S.
The molecular weight of Thieno(2,3-d)pyrimidine-6-acetic acid, 3,4-dihydro-5-methyl-4-oxo- is 224.02556 g/mol.
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