![2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione structure](/static/products/799/799800-51-4.png)
2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione
TL;DR: 2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione (CAS 799800-51-4) is a chemical compound with molecular formula C28H23N5O3S2 and molecular weight 541.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[7-(4-methylphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]ethyl]isoindole-1,3-dione
Also Known As: 2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione, 2-(2-{[4-(4-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}ethyl)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C28H23N5O3S2 |
|---|---|
| Molecular Weight | 541.12 g/mol |
| LogP | 4.67042 |
| Topological Polar Surface Area | 89.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.1242 |
| Heavy Atoms | 38 |
| Complexity | 1798.6951 |
Chemical Identifiers
| CAS Number | 799800-51-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCCN5C(=O)C6=CC=CC=C6C5=O)SC7=C3CCCC7 |
Product Overview
2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione (CAS 799800-51-4), with molecular formula C28H23N5O3S2 and molecular weight 541.12 g/mol. IUPAC: 2-[2-[[7-(4-methylphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]ethyl]isoindole-1,3-dione.
Chemical Property Profile of 2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione
Property Insights of 2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione
The XLogP value of 4.67042 indicates that 2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, 2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione 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-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione?
The CAS number of 2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione is 799800-51-4.
What is the molecular formula of 2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione?
The molecular formula of 2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione is C28H23N5O3S2.
What is the molecular weight of 2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione?
The molecular weight of 2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione is 541.12 g/mol.
Where can I buy 2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione?
You can request a quote for 2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)ethyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.