![2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone structure](/static/products/879/879458-03-4.png)
2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone
TL;DR: 2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone (CAS 879458-03-4) is a chemical compound with molecular formula C19H15N5O3S3 and molecular weight 457.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-methylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaen-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone
Also Known As: 2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone, 2-{[5-(methylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
| Molecular Formula | C19H15N5O3S3 |
|---|---|
| Molecular Weight | 457.03 g/mol |
| LogP | 4.4328 |
| Topological Polar Surface Area | 103.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.0337 |
| Heavy Atoms | 30 |
| Complexity | 1312.9443 |
Chemical Identifiers
| CAS Number | 879458-03-4 |
|---|---|
| SMILES | CSC1=NC2=C(C3=C(S2)CCC3)C4=NN=C(N41)SCC(=O)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone (CAS 879458-03-4), with molecular formula C19H15N5O3S3 and molecular weight 457.03 g/mol. IUPAC: 2-[(7-methylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaen-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of 2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone
Property Insights of 2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone
The XLogP value of 4.4328 indicates that 2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone?
The CAS number of 2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone is 879458-03-4.
What is the molecular formula of 2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone?
The molecular formula of 2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone is C19H15N5O3S3.
What is the molecular weight of 2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone?
The molecular weight of 2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone is 457.03 g/mol.
Where can I buy 2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone?
You can request a quote for 2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.