![2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/5001/500112-75-4.webp)
2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 500112-75-4) is a chemical compound with molecular formula C22H17FN2O2S2 and molecular weight 424.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
Also Known As: 2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5,6-dimethyl-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one, 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C22H17FN2O2S2 |
|---|---|
| Molecular Weight | 424.07 g/mol |
| LogP | 5.17814 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.07153 |
| Heavy Atoms | 29 |
| Complexity | 1262.2072 |
Chemical Identifiers
| CAS Number | 500112-75-4 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C |
Product Overview
2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 500112-75-4), with molecular formula C22H17FN2O2S2 and molecular weight 424.07 g/mol. IUPAC: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 5.17814 indicates that 2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, 2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one is 500112-75-4.
What is the molecular formula of 2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one is C22H17FN2O2S2.
What is the molecular weight of 2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one is 424.07 g/mol.
Where can I buy 2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(4-Fluorophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.