![6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one structure](/static/products/118/1185098-97-8.webp)
6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one (CAS 1185098-97-8) is a chemical compound with molecular formula C22H20N4O2S and molecular weight 404.1307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidin-4-one
Also Known As: 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one, 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidin-4-one, 6-hydroxy-3-(3-methylphenyl)-2-sulfanyl-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)pyrimidin-4(3H)-one
Technical Specifications
| Molecular Formula | C22H20N4O2S |
| Molecular Weight | 404.1307 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.1307 Da |
| Heavy Atoms | 29 |
| Complexity | 726.0 |
| SMILES | CC1=CC(=CC=C1)N2C(=C(C(=O)NC2=S)C3C4=C(CCN3)C5=CC=CC=C5N4)O |
| InChIKey | SQYLFGCZPPAYND-UHFFFAOYSA-N |
Chemical Property Profile of 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one is 1185098-97-8.
What is the molecular formula of 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one is C22H20N4O2S.
What is the molecular weight of 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one is 404.1307 g/mol.
Where can I buy 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
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Does CoreyChem offer custom synthesis for 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
Yes, CoreyChem provides custom synthesis services for 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-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.