3-butyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 3-butyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1185021-58-2) is a chemical compound with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
Also Known As: 3-butyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 1-butyl-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
| Molecular Formula | C17H21N3O2S |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.64669 |
| Topological Polar Surface Area | 70.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.13544 |
| Heavy Atoms | 23 |
| Complexity | 825.31866 |
Chemical Identifiers
| CAS Number | 1185021-58-2 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)NC1=S)C2C3=CC=CC=C3CCN2)O |
Product Overview
3-butyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1185021-58-2), with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol. IUPAC: 1-butyl-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one.
Chemical Property Profile of 3-butyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 3-butyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 2.64669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-butyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 70.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-butyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 3-butyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-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 3-butyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 3-butyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1185021-58-2.
What is the molecular formula of 3-butyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 3-butyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C17H21N3O2S.
What is the molecular weight of 3-butyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 3-butyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 331.14 g/mol.
Where can I buy 3-butyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 3-butyl-6-hydroxy-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 3-butyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-butyl-6-hydroxy-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.