6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1185013-16-4) is a chemical compound with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-1-(2-methoxyphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
Also Known As: 6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-hydroxy-1-(2-methoxyphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one, 6-hydroxy-3-(2-methoxyphenyl)-2-sulfanyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4(3H)-one
| Molecular Formula | C20H19N3O3S |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 2.84439 |
| Topological Polar Surface Area | 79.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.11472 |
| Heavy Atoms | 27 |
| Complexity | 1119.9402 |
Chemical Identifiers
| CAS Number | 1185013-16-4 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=C(C(=O)NC2=S)C3C4=CC=CC=C4CCN3)O |
Product Overview
6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1185013-16-4), with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol. IUPAC: 6-hydroxy-1-(2-methoxyphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one.
Chemical Property Profile of 6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 2.84439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 79.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one has 3 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-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1185013-16-4.
What is the molecular formula of 6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C20H19N3O3S.
What is the molecular weight of 6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 381.11 g/mol.
Where can I buy 6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-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 6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.