![ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate structure](/static/products/672/672897-08-4.png)
ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate
TL;DR: ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate (CAS 672897-08-4) is a chemical compound with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-2,3-dihydro-1H-thieno[3,4-d]pyrimidine-7-carboxylate
Also Known As: ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate, ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-2,3-dihydro-1H-thieno[3,4-d]pyrimidine-7-carboxylate
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 2.79292 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 784.38257 |
Chemical Identifiers
| CAS Number | 672897-08-4 |
|---|---|
| SMILES | CCOC(=O)C1=C2C(=C(S1)C)C(=O)NC(N2)C3=CC=CC=C3O |
Product Overview
ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate (CAS 672897-08-4), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-2,3-dihydro-1H-thieno[3,4-d]pyrimidine-7-carboxylate.
Chemical Property Profile of ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate
Property Insights of ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate
The XLogP value of 2.79292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate has 3 hydrogen bond donor(s) and 6 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 ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate?
The CAS number of ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate is 672897-08-4.
What is the molecular formula of ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate?
The molecular formula of ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate is C16H16N2O4S.
What is the molecular weight of ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate?
The molecular weight of ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate is 332.08 g/mol.
Where can I buy ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate?
You can request a quote for ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.