![1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone structure](/static/products/385/385394-62-7.png)
1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone
TL;DR: 1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone (CAS 385394-62-7) is a chemical compound with molecular formula C20H18BrN5OS3 and molecular weight 518.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[(13-methyl-7-methylsulfanyl-10-thia-3,4,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanone
Also Known As: 1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone, 1-(4-bromophenyl)-2-{[9-methyl-5-(methylsulfanyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}ethanone
| Molecular Formula | C20H18BrN5OS3 |
|---|---|
| Molecular Weight | 518.99 g/mol |
| LogP | 4.7863 |
| Topological Polar Surface Area | 63.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 518.9857 |
| Heavy Atoms | 30 |
| Complexity | 1267.409 |
Chemical Identifiers
| CAS Number | 385394-62-7 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C4=NN=C(N4C(=N3)SC)SCC(=O)C5=CC=C(C=C5)Br |
Product Overview
1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone (CAS 385394-62-7), with molecular formula C20H18BrN5OS3 and molecular weight 518.99 g/mol. IUPAC: 1-(4-bromophenyl)-2-[(13-methyl-7-methylsulfanyl-10-thia-3,4,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone
Property Insights of 1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone
The XLogP value of 4.7863 indicates that 1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone 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 1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone?
The CAS number of 1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone is 385394-62-7.
What is the molecular formula of 1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone?
The molecular formula of 1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone is C20H18BrN5OS3.
What is the molecular weight of 1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone?
The molecular weight of 1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone is 518.99 g/mol.
Where can I buy 1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone?
You can request a quote for 1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromophenyl)-2-((9-methyl-5-(methylthio)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.