6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
TL;DR: 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one (CAS 577989-98-1) is a chemical compound with molecular formula C20H19N3O2S and molecular weight 365.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
Also Known As: 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one, 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one, 6-hydroxy-3-(3-methylphenyl)-2-sulfanyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4(3H)-one
| Molecular Formula | C20H19N3O2S |
|---|---|
| Molecular Weight | 365.12 g/mol |
| LogP | 3.14421 |
| Topological Polar Surface Area | 70.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.1198 |
| Heavy Atoms | 26 |
| Complexity | 1100.6958 |
Chemical Identifiers
| CAS Number | 577989-98-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=C(C(=O)NC2=S)C3C4=CC=CC=C4CCN3)O |
Product Overview
6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one (CAS 577989-98-1), with molecular formula C20H19N3O2S and molecular weight 365.12 g/mol. IUPAC: 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one.
Chemical Property Profile of 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
Property Insights of 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
The XLogP value of 3.14421 indicates that 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one. Following Lipinski's Rule of Five, 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one has 3 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 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one?
The CAS number of 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one is 577989-98-1.
What is the molecular formula of 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one?
The molecular formula of 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one is C20H19N3O2S.
What is the molecular weight of 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one?
The molecular weight of 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one is 365.12 g/mol.
Where can I buy 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one?
You can request a quote for 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-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-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.