![2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone structure](/static/products/848/848734-71-4.png)
2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone
TL;DR: 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone (CAS 848734-71-4) is a chemical compound with molecular formula C17H22N4OS3 and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone, 2-(7-Methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-pyr rolidin-1-yl-ethanone, 2-{[7-methyl-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
| Molecular Formula | C17H22N4OS3 |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 3.1156 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.09558 |
| Heavy Atoms | 25 |
| Complexity | 800.77716 |
Chemical Identifiers
| CAS Number | 848734-71-4 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=NC(=N3)SC)SCC(=O)N4CCCC4 |
Product Overview
2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone (CAS 848734-71-4), with molecular formula C17H22N4OS3 and molecular weight 394.10 g/mol. IUPAC: 2-[(11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone
Property Insights of 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone
The XLogP value of 3.1156 indicates that 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone has 0 hydrogen bond donor(s) and 7 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 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
The CAS number of 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone is 848734-71-4.
What is the molecular formula of 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
The molecular formula of 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone is C17H22N4OS3.
What is the molecular weight of 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
The molecular weight of 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone is 394.10 g/mol.
Where can I buy 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
You can request a quote for 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.