5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 861115-40-4) is a chemical compound with molecular formula C21H27N3O3 and molecular weight 369.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C21H27N3O3 |
|---|---|
| Molecular Weight | 369.21 g/mol |
| LogP | 3.3289 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.20523 |
| Heavy Atoms | 27 |
| Complexity | 731.54364 |
Chemical Identifiers
| CAS Number | 861115-40-4 |
|---|---|
| SMILES | CCCCN1C(=O)C(=CC2=CC=C(C=C2)N3CCCCCC3)C(=O)NC1=O |
Product Overview
5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 861115-40-4), with molecular formula C21H27N3O3 and molecular weight 369.21 g/mol. IUPAC: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.3289 indicates that 5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione 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 5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione 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 5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione is 861115-40-4.
What is the molecular formula of 5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione is C21H27N3O3.
What is the molecular weight of 5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione is 369.21 g/mol.
Where can I buy 5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-(azepan-1-yl)benzylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.