(Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 714929-05-2) is a chemical compound with molecular formula C23H22ClN3O3 and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(2-chlorophenyl)-1,3-diazinane-2,4,6-trione
Also Known As: (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(2-chlorophenyl)-1,3-diazinane-2,4,6-trione, (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(2-chlorophenyl)-1,3-diazinane-2,4,6-trione, (5Z)-5-[4-(azepan-1-yl)benzylidene]-3-(2-chlorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C23H22ClN3O3 |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 4.3868 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.13498 |
| Heavy Atoms | 30 |
| Complexity | 1008.60834 |
Chemical Identifiers
| CAS Number | 714929-05-2 |
|---|---|
| SMILES | C1CCCN(CC1)C2=CC=C(C=C2)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=CC=C4Cl |
Product Overview
(Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 714929-05-2), with molecular formula C23H22ClN3O3 and molecular weight 423.13 g/mol. IUPAC: (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(2-chlorophenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 4.3868 indicates that (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-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 (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-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 (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 714929-05-2.
What is the molecular formula of (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C23H22ClN3O3.
What is the molecular weight of (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 423.13 g/mol.
Where can I buy (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-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 (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(2-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.