![8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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/714/714242-48-5.png)
8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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: 8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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 714242-48-5) is a chemical compound with molecular formula C24H20N6O3S2 and molecular weight 504.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-3-[(4-nitrophenyl)methylsulfanyl]-7-phenyl-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: 8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 8-methyl-1-[(4-nitrobenzyl)sulfanyl]-4-phenyl-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 | C24H20N6O3S2 |
|---|---|
| Molecular Weight | 504.10 g/mol |
| LogP | 4.2833 |
| Topological Polar Surface Area | 98.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.10382 |
| Heavy Atoms | 35 |
| Complexity | 1639.9321 |
Chemical Identifiers
| CAS Number | 714242-48-5 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6 |
Product Overview
8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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 714242-48-5), with molecular formula C24H20N6O3S2 and molecular weight 504.10 g/mol. IUPAC: 13-methyl-3-[(4-nitrophenyl)methylsulfanyl]-7-phenyl-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 8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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 8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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 4.2833 indicates that 8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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 98.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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, 8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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 8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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 714242-48-5.
What is the molecular formula of 8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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 8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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 C24H20N6O3S2.
What is the molecular weight of 8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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 8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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 504.10 g/mol.
Where can I buy 8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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 8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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 8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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 8-methyl-1-((4-nitrobenzyl)thio)-4-phenyl-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.