![(5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one structure](/static/products/577/577983-47-2.png)
(5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
TL;DR: (5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one (CAS 577983-47-2) is a chemical compound with molecular formula C21H19N3O2S and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one, 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C21H19N3O2S |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 2.5537 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.1198 |
| Heavy Atoms | 27 |
| Complexity | 931.154 |
Chemical Identifiers
| CAS Number | 577983-47-2 |
|---|---|
| SMILES | C1CC2=C(C=CC(=C2)C=C3C(=O)NC(=S)NC3=O)N(C1)CC4=CC=CC=C4 |
Product Overview
(5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one (CAS 577983-47-2), with molecular formula C21H19N3O2S and molecular weight 377.12 g/mol. IUPAC: 5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
Property Insights of (5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
The XLogP value of 2.5537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one. Following Lipinski's Rule of Five, (5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one has 2 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 (5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one?
The CAS number of (5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one is 577983-47-2.
What is the molecular formula of (5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one?
The molecular formula of (5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one is C21H19N3O2S.
What is the molecular weight of (5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one?
The molecular weight of (5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one is 377.12 g/mol.
Where can I buy (5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one?
You can request a quote for (5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.