![4-(3-chlorophenyl)-1-((4-methoxybenzyl)thio)-8-methyl-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/844/844648-76-6.png)
4-(3-chlorophenyl)-1-((4-methoxybenzyl)thio)-8-methyl-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)-1-((4-methoxybenzyl)thio)-8-methyl-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 844648-76-6) is a chemical compound with molecular formula C25H22ClN5O2S2 and molecular weight 523.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-chlorophenyl)-3-[(4-methoxyphenyl)methylsulfanyl]-13-methyl-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)-1-((4-methoxybenzyl)thio)-8-methyl-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)-1-[(4-methoxybenzyl)sulfanyl]-8-methyl-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 | C25H22ClN5O2S2 |
|---|---|
| Molecular Weight | 523.09 g/mol |
| LogP | 5.0371 |
| Topological Polar Surface Area | 64.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 523.09033 |
| Heavy Atoms | 35 |
| Complexity | 1623.496 |
Chemical Identifiers
| CAS Number | 844648-76-6 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC=C(C=C5)OC)C6=CC(=CC=C6)Cl |
Product Overview
4-(3-chlorophenyl)-1-((4-methoxybenzyl)thio)-8-methyl-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 844648-76-6), with molecular formula C25H22ClN5O2S2 and molecular weight 523.09 g/mol. IUPAC: 7-(3-chlorophenyl)-3-[(4-methoxyphenyl)methylsulfanyl]-13-methyl-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)-1-((4-methoxybenzyl)thio)-8-methyl-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)-1-((4-methoxybenzyl)thio)-8-methyl-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 5.0371 indicates that 4-(3-chlorophenyl)-1-((4-methoxybenzyl)thio)-8-methyl-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. The TPSA of 64.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-chlorophenyl)-1-((4-methoxybenzyl)thio)-8-methyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one. Following Lipinski's Rule of Five, 4-(3-chlorophenyl)-1-((4-methoxybenzyl)thio)-8-methyl-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 7 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)-1-((4-methoxybenzyl)thio)-8-methyl-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)-1-((4-methoxybenzyl)thio)-8-methyl-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 844648-76-6.
What is the molecular formula of 4-(3-chlorophenyl)-1-((4-methoxybenzyl)thio)-8-methyl-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)-1-((4-methoxybenzyl)thio)-8-methyl-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 C25H22ClN5O2S2.
What is the molecular weight of 4-(3-chlorophenyl)-1-((4-methoxybenzyl)thio)-8-methyl-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)-1-((4-methoxybenzyl)thio)-8-methyl-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 523.09 g/mol.
Where can I buy 4-(3-chlorophenyl)-1-((4-methoxybenzyl)thio)-8-methyl-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)-1-((4-methoxybenzyl)thio)-8-methyl-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)-1-((4-methoxybenzyl)thio)-8-methyl-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)-1-((4-methoxybenzyl)thio)-8-methyl-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.