![2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide structure](/static/products/487/487033-58-9.png)
2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide
TL;DR: 2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide (CAS 487033-58-9) is a chemical compound with molecular formula C26H28N4OS2 and molecular weight 476.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylphenyl)-2-[[8-(2-methylpropyl)-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-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide, N-(2-methylphenyl)-2-{[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
| Molecular Formula | C26H28N4OS2 |
|---|---|
| Molecular Weight | 476.17 g/mol |
| LogP | 6.35602 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.17044 |
| Heavy Atoms | 33 |
| Complexity | 1345.3807 |
Chemical Identifiers
| CAS Number | 487033-58-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2SC4=C3C5=C(CCCC5)C(=N4)CC(C)C |
Product Overview
2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide (CAS 487033-58-9), with molecular formula C26H28N4OS2 and molecular weight 476.17 g/mol. IUPAC: N-(2-methylphenyl)-2-[[8-(2-methylpropyl)-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-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide
Property Insights of 2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide
The XLogP value of 6.35602 indicates that 2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide. Following Lipinski's Rule of Five, 2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide has 1 hydrogen bond donor(s) and 6 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-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide?
The CAS number of 2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide is 487033-58-9.
What is the molecular formula of 2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide?
The molecular formula of 2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide is C26H28N4OS2.
What is the molecular weight of 2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide?
The molecular weight of 2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide is 476.17 g/mol.
Where can I buy 2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide?
You can request a quote for 2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)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-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-N-(o-tolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.