![1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one structure](/static/products/119/1190241-95-2.webp)
1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1190241-95-2) is a chemical compound with molecular formula C21H26N4O2S and molecular weight 398.17764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hexyl-6-hydroxy-2-sulfanylidene-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidin-4-one
Also Known As: 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 3-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 1-hexyl-6-hydroxy-2-sulfanyl-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)pyrimidin-4(1H)-one, 1-hexyl-6-hydroxy-2-sulfanylidene-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidin-4-one, 3-hexyl-6-hydroxy-2-sulfanyl-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)pyrimidin-4(3H)-one
Technical Specifications
| Molecular Formula | C21H26N4O2S |
| Molecular Weight | 398.17764 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.17764 Da |
| Heavy Atoms | 28 |
| Complexity | 652.0 |
| SMILES | CCCCCCN1C(=C(C(=O)NC1=S)C2C3=C(CCN2)C4=CC=CC=C4N3)O |
| InChIKey | YUXYOJPATKKSCS-UHFFFAOYSA-N |
Chemical Property Profile of 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 3.3 indicates that 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-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 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1190241-95-2.
What is the molecular formula of 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C21H26N4O2S.
What is the molecular weight of 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 398.17764 g/mol.
Where can I buy 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, CoreyChem provides custom synthesis services for 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.