![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)-N-phenethylacetamide structure](/static/products/575/575468-95-0.png)
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)-N-phenethylacetamide
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)-N-phenethylacetamide (CAS 575468-95-0) is a chemical compound with molecular formula C27H25N5OS3 and molecular weight 531.12 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]-N-(2-phenylethyl)acetamide
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)-N-phenethylacetamide, 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}-N-(2-phenylethyl)acetamide
| Molecular Formula | C27H25N5OS3 |
|---|---|
| Molecular Weight | 531.12 g/mol |
| LogP | 5.571 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 531.12213 |
| Heavy Atoms | 36 |
| Complexity | 1514.8055 |
Chemical Identifiers
| CAS Number | 575468-95-0 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C4=NN=C(N4C(=N3)SCC5=CC=CC=C5)SCC(=O)NCCC6=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)-N-phenethylacetamide (CAS 575468-95-0), with molecular formula C27H25N5OS3 and molecular weight 531.12 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]-N-(2-phenylethyl)acetamide.
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)-N-phenethylacetamide
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)-N-phenethylacetamide
The XLogP value of 5.571 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)-N-phenethylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.18 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)-N-phenethylacetamide. 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)-N-phenethylacetamide has 1 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)-N-phenethylacetamide?
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)-N-phenethylacetamide is 575468-95-0.
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)-N-phenethylacetamide?
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)-N-phenethylacetamide is C27H25N5OS3.
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)-N-phenethylacetamide?
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)-N-phenethylacetamide is 531.12 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)-N-phenethylacetamide?
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)-N-phenethylacetamide 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)-N-phenethylacetamide?
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)-N-phenethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.