6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one (CAS 1190301-59-7) is a chemical compound with molecular formula C28H25N3O3S and molecular weight 483.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-1-(2-methylphenyl)-3-phenyl-2-sulfanylidene-5-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]pyrimidin-4-one
Also Known As: 6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one, 6-hydroxy-1-(2-methylphenyl)-3-phenyl-2-sulfanylidene-5-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]pyrimidin-4-one, 6-hydroxy-1-(2-methylphenyl)-3-phenyl-5-(1,2,3,4-tetrahydroisoquinolin-1-ylacetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C28H25N3O3S |
|---|---|
| Molecular Weight | 483.16 g/mol |
| LogP | 4.83151 |
| Topological Polar Surface Area | 76.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.16165 |
| Heavy Atoms | 35 |
| Complexity | 1539.5704 |
Chemical Identifiers
| CAS Number | 1190301-59-7 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=C(C(=O)N(C2=S)C3=CC=CC=C3)C(=O)CC4C5=CC=CC=C5CCN4)O |
Product Overview
6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one (CAS 1190301-59-7), with molecular formula C28H25N3O3S and molecular weight 483.16 g/mol. IUPAC: 6-hydroxy-1-(2-methylphenyl)-3-phenyl-2-sulfanylidene-5-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]pyrimidin-4-one.
Chemical Property Profile of 6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 4.83151 indicates that 6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one has 2 hydrogen bond donor(s) and 5 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 6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one is 1190301-59-7.
What is the molecular formula of 6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one is C28H25N3O3S.
What is the molecular weight of 6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one is 483.16 g/mol.
Where can I buy 6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-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 6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-hydroxy-3-phenyl-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-1-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.