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 360.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C17H16N2O3S2 |
|---|---|
| Molecular Weight | 360.06 g/mol |
| LogP | 3.52381 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.06024 |
| Heavy Atoms | 24 |
| Complexity | 1015.97705 |
Chemical Identifiers
| CAS Number | 105523-02-2 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C2=C(S1)NC(=S)N(C2=O)C3=CC=CC=C3)C |
Product Overview
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), with molecular formula C17H16N2O3S2 and molecular weight 360.06 g/mol. IUPAC: ethyl 2-(5-methyl-4-oxo-3-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-6-yl)acetate.
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 3.52381 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 64.09 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
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 360.06 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO 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, KEHONG BIO 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.