5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one (CAS 577997-87-6) is a chemical compound with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1-(3-methylphenyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one, 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1-(3-methylphenyl)-2-sulfanylidenepyrimidin-4-one, 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(3-methylphenyl)-2-sulfanylpyrimidin-4(3H)-one
| Molecular Formula | C22H23N3O4S |
|---|---|
| Molecular Weight | 425.14 g/mol |
| LogP | 3.16141 |
| Topological Polar Surface Area | 88.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.14093 |
| Heavy Atoms | 30 |
| Complexity | 1232.028 |
Chemical Identifiers
| CAS Number | 577997-87-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=C(C(=O)NC2=S)C3C4=CC(=C(C=C4CCN3)OC)OC)O |
Product Overview
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one (CAS 577997-87-6), with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol. IUPAC: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1-(3-methylphenyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 3.16141 indicates that 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one has 3 hydrogen bond donor(s) and 6 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-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one is 577997-87-6.
What is the molecular formula of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one is C22H23N3O4S.
What is the molecular weight of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one is 425.14 g/mol.
Where can I buy 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-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 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.