![2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone structure](/static/products/5736/573693-68-2.webp)
2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone
TL;DR: 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone (CAS 573693-68-2) is a chemical compound with molecular formula C25H20N4OS3 and molecular weight 488.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-benzylsulfanyl-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-phenylethanone
Also Known As: 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone, 2-{[5-(benzylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-phenylethanone
| Molecular Formula | C25H20N4OS3 |
|---|---|
| Molecular Weight | 488.08 g/mol |
| LogP | 6.095 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.07993 |
| Heavy Atoms | 33 |
| Complexity | 1461.3762 |
Chemical Identifiers
| CAS Number | 573693-68-2 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C4=NN=C(N4C(=N3)SCC5=CC=CC=C5)SCC(=O)C6=CC=CC=C6 |
Product Overview
2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone (CAS 573693-68-2), with molecular formula C25H20N4OS3 and molecular weight 488.08 g/mol. IUPAC: 2-[(7-benzylsulfanyl-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-phenylethanone.
Chemical Property Profile of 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone
Property Insights of 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone
The XLogP value of 6.095 indicates that 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone. Following Lipinski's Rule of Five, 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone 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 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone?
The CAS number of 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone is 573693-68-2.
What is the molecular formula of 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone?
The molecular formula of 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone is C25H20N4OS3.
What is the molecular weight of 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone?
The molecular weight of 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone is 488.08 g/mol.
Where can I buy 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone?
You can request a quote for 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.