TL;DR: 9H-Thiazolo(3,2-a)thieno(3,2-d)pyrimidine-6-carboxylic acid, 7-methyl-9-oxo-2-phenyl-, ethyl ester (CAS 122945-81-7) is a chemical compound with molecular formula C18H14N2O3S2 and molecular weight 370.0446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 12-methyl-2-oxo-5-phenyl-4,10-dithia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),5,8,11-tetraene-11-carboxylate
Also Known As: 9H-Thiazolo(3,2-a)thieno(3,2-d)pyrimidine-6-carboxylic acid, 7-methyl-9-oxo-2-phenyl-, ethyl ester, Ethyl 7-methyl-9-oxo-2-phenyl-9H-thiazolo(3,2-a)thieno(3,2-d)pyrimidine-6-carboxylate, 9H-Thiazolo[3,2-a]thieno[3,2-d]pyrimidine-6-carboxylicacid, 7-methyl-9-oxo-2-phenyl-, ethyl ester, 9H-Thiazolo(3,2-a)thieno(3,2-d)pyrimidine-6-carboxylic acid,7-methyl-9-oxo-2-phenyl-,ethyl ester, Ethyl 7-methyl-9-oxo-2-phenyl-9H-[1,3]thiazolo[3,2-a]thieno[3,2-d]pyrimidine-6-carboxylate
| Molecular Formula | C18H14N2O3S2 |
| Molecular Weight | 370.0446 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.0446 Da |
| Heavy Atoms | 25 |
| Complexity | 655.0 |
| SMILES | CCOC(=O)C1=C(N2C(=O)C3=C(C=C(S3)C4=CC=CC=C4)N=C2S1)C |
| InChIKey | JTVAQQMXXVWXOV-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 9H-Thiazolo(3,2-a)thieno(3,2-d)pyrimidine-6-carboxylic acid, 7-methyl-9-oxo-2-phenyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Thiazolo(3,2-a)thieno(3,2-d)pyrimidine-6-carboxylic acid, 7-methyl-9-oxo-2-phenyl-, ethyl ester. Following Lipinski's Rule of Five, 9H-Thiazolo(3,2-a)thieno(3,2-d)pyrimidine-6-carboxylic acid, 7-methyl-9-oxo-2-phenyl-, ethyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 9H-Thiazolo(3,2-a)thieno(3,2-d)pyrimidine-6-carboxylic acid, 7-methyl-9-oxo-2-phenyl-, ethyl ester is 122945-81-7.
The molecular formula of 9H-Thiazolo(3,2-a)thieno(3,2-d)pyrimidine-6-carboxylic acid, 7-methyl-9-oxo-2-phenyl-, ethyl ester is C18H14N2O3S2.
The molecular weight of 9H-Thiazolo(3,2-a)thieno(3,2-d)pyrimidine-6-carboxylic acid, 7-methyl-9-oxo-2-phenyl-, ethyl ester is 370.0446 g/mol.
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