![2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide structure](/static/products/799/799833-40-2.png)
2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide
TL;DR: 2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide (CAS 799833-40-2) is a chemical compound with molecular formula C26H28N4O2S3 and molecular weight 524.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxyphenyl)-2-[(15-methylsulfanyl-8-propan-2-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)sulfanyl]acetamide
Also Known As: 2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide, N-(4-methoxyphenyl)-2-{[10-(methylsulfanyl)-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
| Molecular Formula | C26H28N4O2S3 |
|---|---|
| Molecular Weight | 524.14 g/mol |
| LogP | 6.703 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 524.13745 |
| Heavy Atoms | 35 |
| Complexity | 1400.0043 |
Chemical Identifiers
| CAS Number | 799833-40-2 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC(=N4)SC)SCC(=O)NC5=CC=C(C=C5)OC |
Product Overview
2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide (CAS 799833-40-2), with molecular formula C26H28N4O2S3 and molecular weight 524.14 g/mol. IUPAC: N-(4-methoxyphenyl)-2-[(15-methylsulfanyl-8-propan-2-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)sulfanyl]acetamide.
Chemical Property Profile of 2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide
Property Insights of 2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide
The XLogP value of 6.703 indicates that 2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide has 1 hydrogen bond donor(s) and 8 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-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide?
The CAS number of 2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide is 799833-40-2.
What is the molecular formula of 2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide?
The molecular formula of 2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide is C26H28N4O2S3.
What is the molecular weight of 2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide?
The molecular weight of 2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide is 524.14 g/mol.
Where can I buy 2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide?
You can request a quote for 2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(4-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.