![2-((5-(methylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-phenethylacetamide structure](/static/products/799/799782-58-4.png)
2-((5-(methylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-phenethylacetamide
TL;DR: 2-((5-(methylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-phenethylacetamide (CAS 799782-58-4) is a chemical compound with molecular formula C22H23N5OS3 and molecular weight 469.11 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[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Also Known As: 2-((5-(methylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-phenethylacetamide, 2-{[5-(methylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(2-phenylethyl)acetamide
| Molecular Formula | C22H23N5OS3 |
|---|---|
| Molecular Weight | 469.11 g/mol |
| LogP | 4.3907 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.10648 |
| Heavy Atoms | 31 |
| Complexity | 1234.6389 |
Chemical Identifiers
| CAS Number | 799782-58-4 |
|---|---|
| SMILES | CSC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N41)SCC(=O)NCCC5=CC=CC=C5 |
Product Overview
2-((5-(methylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-phenethylacetamide (CAS 799782-58-4), with molecular formula C22H23N5OS3 and molecular weight 469.11 g/mol. IUPAC: 2-[(7-methylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide.
Chemical Property Profile of 2-((5-(methylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-phenethylacetamide
Property Insights of 2-((5-(methylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-phenethylacetamide
The XLogP value of 4.3907 indicates that 2-((5-(methylthio)-8,9,10,11-tetrahydrobenzo[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-(methylthio)-8,9,10,11-tetrahydrobenzo[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-(methylthio)-8,9,10,11-tetrahydrobenzo[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), 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)-8,9,10,11-tetrahydrobenzo[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-(methylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-phenethylacetamide is 799782-58-4.
What is the molecular formula of 2-((5-(methylthio)-8,9,10,11-tetrahydrobenzo[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-(methylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-phenethylacetamide is C22H23N5OS3.
What is the molecular weight of 2-((5-(methylthio)-8,9,10,11-tetrahydrobenzo[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-(methylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-phenethylacetamide is 469.11 g/mol.
Where can I buy 2-((5-(methylthio)-8,9,10,11-tetrahydrobenzo[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-(methylthio)-8,9,10,11-tetrahydrobenzo[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-(methylthio)-8,9,10,11-tetrahydrobenzo[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-(methylthio)-8,9,10,11-tetrahydrobenzo[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.