![3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/5560/556050-16-9.webp)
3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 556050-16-9) is a chemical compound with molecular formula C25H20N4O3S2 and molecular weight 488.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: 3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 2-{[2-(3-hydroxy-1,2-dihydroquinoxalin-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 4-[2-[[3,4-dihydro-4-oxo-5-phenyl-3-(2-propen-1-yl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]-3,4-dihydro-2(1H)-Quinoxalinone
| Molecular Formula | C25H20N4O3S2 |
|---|---|
| Molecular Weight | 488.10 g/mol |
| LogP | 4.3884 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.0977 |
| Heavy Atoms | 34 |
| Complexity | 1476.7999 |
Chemical Identifiers
| CAS Number | 556050-16-9 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CC(=O)NC4=CC=CC=C43)SC=C2C5=CC=CC=C5 |
Product Overview
3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 556050-16-9), with molecular formula C25H20N4O3S2 and molecular weight 488.10 g/mol. IUPAC: 2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.3884 indicates that 3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one has 1 hydrogen bond donor(s) and 6 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 3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one is 556050-16-9.
What is the molecular formula of 3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one is C25H20N4O3S2.
What is the molecular weight of 3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one is 488.10 g/mol.
Where can I buy 3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-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 3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-2-((2-oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.