![4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one structure](/static/products/847/847339-22-4.png)
4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
TL;DR: 4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one (CAS 847339-22-4) is a chemical compound with molecular formula C25H22ClN5OS2 and molecular weight 507.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-chlorophenyl)-13-methyl-3-(2-phenylethylsulfanyl)-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: 4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 4-(3-chlorophenyl)-8-methyl-1-[(2-phenylethyl)sulfanyl]-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C25H22ClN5OS2 |
|---|---|
| Molecular Weight | 507.10 g/mol |
| LogP | 5.071 |
| Topological Polar Surface Area | 55.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 507.09543 |
| Heavy Atoms | 34 |
| Complexity | 1573.5844 |
Chemical Identifiers
| CAS Number | 847339-22-4 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCCC5=CC=CC=C5)C6=CC(=CC=C6)Cl |
Product Overview
4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one (CAS 847339-22-4), with molecular formula C25H22ClN5OS2 and molecular weight 507.10 g/mol. IUPAC: 7-(3-chlorophenyl)-13-methyl-3-(2-phenylethylsulfanyl)-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of 4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Property Insights of 4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
The XLogP value of 5.071 indicates that 4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.43 Ų, 4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
The CAS number of 4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is 847339-22-4.
What is the molecular formula of 4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
The molecular formula of 4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is C25H22ClN5OS2.
What is the molecular weight of 4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
The molecular weight of 4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is 507.10 g/mol.
Where can I buy 4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
You can request a quote for 4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chlorophenyl)-8-methyl-1-(phenethylthio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.