![6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one structure](/static/products/119/1190239-77-0.png)
6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(o-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-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one (CAS 1190239-77-0) is a chemical compound with molecular formula C22H20N4O2S and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-1-(2-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-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one, 6-hydroxy-1-(2-methylphenyl)-2-sulfanylidene-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidin-4-one, 6-hydroxy-3-(2-methylphenyl)-2-sulfanyl-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)pyrimidin-4(3H)-one
| Molecular Formula | C22H20N4O2S |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 3.62551 |
| Topological Polar Surface Area | 85.84 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.1307 |
| Heavy Atoms | 29 |
| Complexity | 1365.4879 |
Chemical Identifiers
| CAS Number | 1190239-77-0 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=C(C(=O)NC2=S)C3C4=C(CCN3)C5=CC=CC=C5N4)O |
Product Overview
6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one (CAS 1190239-77-0), with molecular formula C22H20N4O2S and molecular weight 404.13 g/mol. IUPAC: 6-hydroxy-1-(2-methylphenyl)-2-sulfanylidene-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidin-4-one.
Chemical Property Profile of 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(o-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-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 3.62551 indicates that 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.84 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-(o-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-(o-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
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-(o-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-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one is 1190239-77-0.
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-(o-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-(o-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-(o-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-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one is 404.13 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-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(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-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-3-(o-tolyl)-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.