![1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one structure](/static/products/119/1190000-47-5.png)
1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
TL;DR: 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one (CAS 1190000-47-5) is a chemical compound with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
Also Known As: 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one, 3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 3-[2-(cyclohex-1-en-1-yl)ethyl]-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C21H25N3O2S |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 3.73709 |
| Topological Polar Surface Area | 70.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.16675 |
| Heavy Atoms | 27 |
| Complexity | 989.65173 |
Chemical Identifiers
| CAS Number | 1190000-47-5 |
|---|---|
| SMILES | C1CCC(=CC1)CCN2C(=C(C(=O)NC2=S)C3C4=CC=CC=C4CCN3)O |
Product Overview
1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one (CAS 1190000-47-5), with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol. IUPAC: 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one.
Chemical Property Profile of 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
Property Insights of 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
The XLogP value of 3.73709 indicates that 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one. Following Lipinski's Rule of Five, 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one has 3 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 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one?
The CAS number of 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one is 1190000-47-5.
What is the molecular formula of 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one?
The molecular formula of 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one is C21H25N3O2S.
What is the molecular weight of 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one?
The molecular weight of 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one is 383.17 g/mol.
Where can I buy 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one?
You can request a quote for 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.