![3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one structure](/static/products/4778/477886-76-3.webp)
3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one
TL;DR: 3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one (CAS 477886-76-3) is a chemical compound with molecular formula C16H11F3N2OS2 and molecular weight 368.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)thieno[3,2-d]pyrimidin-4-one
Also Known As: Bionet1_003422, 2N-761, 3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one, 3-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)thieno[3,2-d]pyrimidin-4-one, 3-Phenyl-2-((3,4,4-trifluorobut-3-en-1-yl)thio)thieno[3,2-d]pyrimidin-4(3H)-one
| Molecular Formula | C16H11F3N2OS2 |
|---|---|
| Molecular Weight | 368.03 g/mol |
| LogP | 5.007 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.0265 |
| Heavy Atoms | 24 |
| Complexity | 946.86096 |
Chemical Identifiers
| CAS Number | 477886-76-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C(C=CS3)N=C2SCCC(=C(F)F)F |
Product Overview
3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one (CAS 477886-76-3), with molecular formula C16H11F3N2OS2 and molecular weight 368.03 g/mol. IUPAC: 3-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)thieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one
Property Insights of 3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one
The XLogP value of 5.007 indicates that 3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-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, 3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-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 3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one?
The CAS number of 3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one is 477886-76-3.
What is the molecular formula of 3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one?
The molecular formula of 3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one is C16H11F3N2OS2.
What is the molecular weight of 3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one?
The molecular weight of 3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one is 368.03 g/mol.
Where can I buy 3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one?
You can request a quote for 3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-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 3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-phenyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.