2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(2,3-D)pyrimidin-4(3H)-one
TL;DR: 2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(2,3-D)pyrimidin-4(3H)-one (CAS 578698-75-6) is a chemical compound with molecular formula C17H16F2N2OS2 and molecular weight 366.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-difluorophenyl)methylsulfanyl]-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
Also Known As: 2-[(2,6-difluorobenzyl)sulfanyl]-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 2-((2,6-Difluorobenzyl)thio)-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(2,3-D)pyrimidin-4(3H)-one, 2-[(2,6-difluorophenyl)methylsulfanyl]-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one, 2-[(2,6-difluorophenyl)methylthio]-3-ethyl-5,6-dimethyl-3-hydrothiopheno[2,3-d ]pyrimidin-4-one
| Molecular Formula | C17H16F2N2OS2 |
|---|---|
| Molecular Weight | 366.07 g/mol |
| LogP | 4.66524 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.0672 |
| Heavy Atoms | 24 |
| Complexity | 958.6115 |
Chemical Identifiers
| CAS Number | 578698-75-6 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC3=C(C=CC=C3F)F)SC(=C2C)C |
Product Overview
2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(2,3-D)pyrimidin-4(3H)-one (CAS 578698-75-6), with molecular formula C17H16F2N2OS2 and molecular weight 366.07 g/mol. IUPAC: 2-[(2,6-difluorophenyl)methylsulfanyl]-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(2,3-D)pyrimidin-4(3H)-one
Property Insights of 2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(2,3-D)pyrimidin-4(3H)-one
The XLogP value of 4.66524 indicates that 2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(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 34.89 Ų, 2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(2,3-D)pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(2,3-D)pyrimidin-4(3H)-one has 0 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 2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(2,3-D)pyrimidin-4(3H)-one?
The CAS number of 2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(2,3-D)pyrimidin-4(3H)-one is 578698-75-6.
What is the molecular formula of 2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(2,3-D)pyrimidin-4(3H)-one?
The molecular formula of 2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(2,3-D)pyrimidin-4(3H)-one is C17H16F2N2OS2.
What is the molecular weight of 2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(2,3-D)pyrimidin-4(3H)-one?
The molecular weight of 2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(2,3-D)pyrimidin-4(3H)-one is 366.07 g/mol.
Where can I buy 2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(2,3-D)pyrimidin-4(3H)-one?
You can request a quote for 2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(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-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(2,3-D)pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,6-Difluorobenzyl)thio)-3-ET-5,6-dimethylthieno(2,3-D)pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.