![5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one structure](/static/products/7778/777877-77-7.webp)
5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
TL;DR: 5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CAS 777877-77-7) is a chemical compound with molecular formula C16H16N2O2S2 and molecular weight 332.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one, 5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one, 5-Ethyl-3-(4-hydroxy-2-methylphenyl)-2-mercapto-6-methylthieno[2,3-d]pyrimidin-4(3H)-one, 5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one, 5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C16H16N2O2S2 |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | 3.99463 |
| Topological Polar Surface Area | 58.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.0653 |
| Heavy Atoms | 22 |
| Complexity | 995.77405 |
Chemical Identifiers
| CAS Number | 777877-77-7 |
|---|---|
| SMILES | CCC1=C(SC2=C1C(=O)N(C(=S)N2)C3=C(C=C(C=C3)O)C)C |
Product Overview
5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CAS 777877-77-7), with molecular formula C16H16N2O2S2 and molecular weight 332.07 g/mol. IUPAC: 5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
Property Insights of 5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
The XLogP value of 3.99463 indicates that 5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.02 Ų, 5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has 2 hydrogen bond donor(s) and 4 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 5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The CAS number of 5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is 777877-77-7.
What is the molecular formula of 5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is C16H16N2O2S2.
What is the molecular weight of 5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is 332.07 g/mol.
Where can I buy 5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-3-(4-hydroxy-2-methyl-phenyl)-2-mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.