5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1190239-13-4) is a chemical compound with molecular formula C22H21N3O3S and molecular weight 407.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-benzyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-benzyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one
| Molecular Formula | C22H21N3O3S |
|---|---|
| Molecular Weight | 407.13 g/mol |
| LogP | 3.15379 |
| Topological Polar Surface Area | 78.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.13037 |
| Heavy Atoms | 29 |
| Complexity | 1183.8971 |
Chemical Identifiers
| CAS Number | 1190239-13-4 |
|---|---|
| SMILES | CC(=O)N1CCC2=CC=CC=C2C1C3=C(N(C(=S)NC3=O)CC4=CC=CC=C4)O |
Product Overview
5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1190239-13-4), with molecular formula C22H21N3O3S and molecular weight 407.13 g/mol. IUPAC: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-benzyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 3.15379 indicates that 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one has 2 hydrogen bond donor(s) and 4 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 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1190239-13-4.
What is the molecular formula of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C22H21N3O3S.
What is the molecular weight of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 407.13 g/mol.
Where can I buy 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.