![(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione structure](/static/products/586/586991-53-9.png)
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
TL;DR: (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione (CAS 586991-53-9) is a chemical compound with molecular formula C25H27N3O3 and molecular weight 417.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-butyl-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione, (5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-butyl-1,3-diazinane-2,4,6-trione, (E)-5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C25H27N3O3 |
|---|---|
| Molecular Weight | 417.21 g/mol |
| LogP | 3.9013 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.20523 |
| Heavy Atoms | 31 |
| Complexity | 1029.5626 |
Chemical Identifiers
| CAS Number | 586991-53-9 |
|---|---|
| SMILES | CCCCN1C(=O)/C(=C/C2=CC3=C(C=C2)N(CCC3)CC4=CC=CC=C4)/C(=O)NC1=O |
Product Overview
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione (CAS 586991-53-9), with molecular formula C25H27N3O3 and molecular weight 417.21 g/mol. IUPAC: (5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-butyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
Property Insights of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
The XLogP value of 3.9013 indicates that (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione has 1 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 (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione?
The CAS number of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione is 586991-53-9.
What is the molecular formula of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione?
The molecular formula of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione is C25H27N3O3.
What is the molecular weight of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione?
The molecular weight of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione is 417.21 g/mol.
Where can I buy (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione?
You can request a quote for (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.