![2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide structure](/static/products/5779/577982-05-9.webp)
2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide
TL;DR: 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide (CAS 577982-05-9) is a chemical compound with molecular formula C18H18FN3O2S2 and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
Also Known As: 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide, 2-[(3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide, 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno(2,3-D)pyrimidin-2-YL)sulfanyl)-N-(4-fluorophenyl)acetamide, 2-({3-ethyl-5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)-N-(4-fluorophenyl)acetamide, 2-(3-ethyl-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio))-N-(4 -fluorophenyl)acetamide
| Molecular Formula | C18H18FN3O2S2 |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 3.96464 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.08246 |
| Heavy Atoms | 26 |
| Complexity | 1025.5776 |
Chemical Identifiers
| CAS Number | 577982-05-9 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)F)SC(=C2C)C |
Product Overview
2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide (CAS 577982-05-9), with molecular formula C18H18FN3O2S2 and molecular weight 391.08 g/mol. IUPAC: 2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide
Property Insights of 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide
The XLogP value of 3.96464 indicates that 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide 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 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide?
The CAS number of 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide is 577982-05-9.
What is the molecular formula of 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide?
The molecular formula of 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide is C18H18FN3O2S2.
What is the molecular weight of 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide?
The molecular weight of 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide is 391.08 g/mol.
Where can I buy 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide?
You can request a quote for 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.