![7-methyl-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/848/848730-91-6.png)
7-methyl-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 7-methyl-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 848730-91-6) is a chemical compound with molecular formula C23H28N4OS2 and molecular weight 440.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-4-phenyl-5-(2-piperidin-1-ylethylsulfanyl)-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-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 7-methyl-3-phenyl-2-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C23H28N4OS2 |
|---|---|
| Molecular Weight | 440.17 g/mol |
| LogP | 4.0131 |
| Topological Polar Surface Area | 41.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.17044 |
| Heavy Atoms | 30 |
| Complexity | 1086.0165 |
Chemical Identifiers
| CAS Number | 848730-91-6 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCCN4CCCCC4)C5=CC=CC=C5 |
Product Overview
7-methyl-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 848730-91-6), with molecular formula C23H28N4OS2 and molecular weight 440.17 g/mol. IUPAC: 11-methyl-4-phenyl-5-(2-piperidin-1-ylethylsulfanyl)-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-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 7-methyl-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.0131 indicates that 7-methyl-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-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 41.37 Ų, 7-methyl-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-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-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-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-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 7-methyl-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 848730-91-6.
What is the molecular formula of 7-methyl-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 7-methyl-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C23H28N4OS2.
What is the molecular weight of 7-methyl-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 7-methyl-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 440.17 g/mol.
Where can I buy 7-methyl-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-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-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-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-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-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-3-phenyl-2-((2-(piperidin-1-yl)ethyl)thio)-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.