![7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/844/844463-32-7.png)
7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 844463-32-7) is a chemical compound with molecular formula C23H26N4O2S2 and molecular weight 454.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 7-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C23H26N4O2S2 |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 3.5397 |
| Topological Polar Surface Area | 58.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.14972 |
| Heavy Atoms | 31 |
| Complexity | 1165.7734 |
Chemical Identifiers
| CAS Number | 844463-32-7 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)N4CCCCC4)C5=CC=CC=C5 |
Product Overview
7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 844463-32-7), with molecular formula C23H26N4O2S2 and molecular weight 454.15 g/mol. IUPAC: 11-methyl-5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 3.5397 indicates that 7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]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 58.44 Ų, 7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 0 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 7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 844463-32-7.
What is the molecular formula of 7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C23H26N4O2S2.
What is the molecular weight of 7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 454.15 g/mol.
Where can I buy 7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]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 7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.