![4-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one structure](/static/products/842/842955-34-4.png)
4-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
TL;DR: 4-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one (CAS 842955-34-4) is a chemical compound with molecular formula C26H21ClN4O2S2 and molecular weight 520.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-chlorophenyl)-12-methyl-3-phenacylsulfanyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: 4-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 4-(4-chlorophenyl)-7-methyl-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C26H21ClN4O2S2 |
|---|---|
| Molecular Weight | 520.08 g/mol |
| LogP | 5.8481 |
| Topological Polar Surface Area | 69.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 520.07947 |
| Heavy Atoms | 35 |
| Complexity | 1638.0244 |
Chemical Identifiers
| CAS Number | 842955-34-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC(=O)C5=CC=CC=C5)N(C3=O)C6=CC=C(C=C6)Cl |
Product Overview
4-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one (CAS 842955-34-4), with molecular formula C26H21ClN4O2S2 and molecular weight 520.08 g/mol. IUPAC: 7-(4-chlorophenyl)-12-methyl-3-phenacylsulfanyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of 4-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Property Insights of 4-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
The XLogP value of 5.8481 indicates that 4-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[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 69.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[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-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
The CAS number of 4-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is 842955-34-4.
What is the molecular formula of 4-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
The molecular formula of 4-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is C26H21ClN4O2S2.
What is the molecular weight of 4-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
The molecular weight of 4-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is 520.08 g/mol.
Where can I buy 4-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
You can request a quote for 4-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[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-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[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-(4-chlorophenyl)-7-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydrobenzo[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.