![5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/5560/556058-90-3.webp)
5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one (CAS 556058-90-3) is a chemical compound with molecular formula C19H17F3N2OS2 and molecular weight 410.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-3-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
Also Known As: 5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one, 3-allyl-5,6-dimethyl-2-((3-(trifluoromethyl)benzyl)thio)thieno[2,3-d]pyrimidin-4(3H)-one, 5,6-dimethyl-3-(prop-2-en-1-yl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 5,6-dimethyl-3-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one, 5,6-dimethyl-3-prop-2-enyl-2-{[3-(trifluoromethyl)phenyl]methylthio}-3-hydroth iopheno[2,3-d]pyrimidin-4-one
| Molecular Formula | C19H17F3N2OS2 |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 5.57194 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.07343 |
| Heavy Atoms | 27 |
| Complexity | 1067.2277 |
Chemical Identifiers
| CAS Number | 556058-90-3 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)C(F)(F)F)CC=C)C |
Product Overview
5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one (CAS 556058-90-3), with molecular formula C19H17F3N2OS2 and molecular weight 410.07 g/mol. IUPAC: 5,6-dimethyl-3-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 5.57194 indicates that 5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[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, 5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one is 556058-90-3.
What is the molecular formula of 5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one is C19H17F3N2OS2.
What is the molecular weight of 5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one is 410.07 g/mol.
Where can I buy 5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[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 5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dimethyl-3-(prop-2-en-1-yl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.