Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester
TL;DR: Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester (CAS 105523-02-2) is a chemical compound with molecular formula C17H16N2O3S2 and molecular weight 360.06024 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(5-methyl-4-oxo-3-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-6-yl)acetate
Also Known As: Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester, 2-Thio-3-phenyl-4-oxo-5-methylthieno(2,3-d)pyrimidine-6-acetic acid ethyl ester, ethyl 2-(5-methyl-4-oxo-3-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-6-yl)acetate, Ethyl (5-methyl-4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)acetate, BRN 5618087
Technical Specifications
| Molecular Formula | C17H16N2O3S2 |
| Molecular Weight | 360.06024 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.06024 Da |
| Heavy Atoms | 24 |
| Complexity | 522.0 |
| SMILES | CCOC(=O)CC1=C(C2=C(S1)NC(=S)N(C2=O)C3=CC=CC=C3)C |
| InChIKey | SSRRWKUXMFIGJV-UHFFFAOYSA-N |
Chemical Property Profile of Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester
Property Insights of Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester
The XLogP value of 3.4 indicates that Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester. Following Lipinski's Rule of Five, Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester?
The CAS number of Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester is 105523-02-2.
What is the molecular formula of Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester?
The molecular formula of Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester is C17H16N2O3S2.
What is the molecular weight of Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester?
The molecular weight of Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester is 360.06024 g/mol.
Where can I buy Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester?
You can request a quote for Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.