![N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide structure](/static/products/371/371925-44-9.png)
N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide
TL;DR: N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide (CAS 371925-44-9) 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-benzyl-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: N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide, N-benzyl-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 | 5.7253 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.17044 |
| Heavy Atoms | 33 |
| Complexity | 1300.39 |
Chemical Identifiers
| CAS Number | 371925-44-9 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)SCC(=O)NCC5=CC=CC=C5 |
Product Overview
N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide (CAS 371925-44-9), with molecular formula C26H28N4OS2 and molecular weight 476.17 g/mol. IUPAC: N-benzyl-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 N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide
Property Insights of N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide
The XLogP value of 5.7253 indicates that N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)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 N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide. Following Lipinski's Rule of Five, N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)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 N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide?
The CAS number of N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide is 371925-44-9.
What is the molecular formula of N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide?
The molecular formula of N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide is C26H28N4OS2.
What is the molecular weight of N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide?
The molecular weight of N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide is 476.17 g/mol.
Where can I buy N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide?
You can request a quote for N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-((5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.