![1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/577/577990-61-5.png)
1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione
TL;DR: 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione (CAS 577990-61-5) is a chemical compound with molecular formula C18H22ClN5O3 and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperazin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
Also Known As: 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione, (E)-1-(4-chlorophenyl)-5-(1-((2-(piperazin-1-yl)ethyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C18H22ClN5O3 |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 0.599 |
| Topological Polar Surface Area | 102.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.1411 |
| Heavy Atoms | 27 |
| Complexity | 942.94995 |
Chemical Identifiers
| CAS Number | 577990-61-5 |
|---|---|
| SMILES | CC(=NCCN1CCNCC1)C2=C(N(C(=O)NC2=O)C3=CC=C(C=C3)Cl)O |
Product Overview
1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione (CAS 577990-61-5), with molecular formula C18H22ClN5O3 and molecular weight 391.14 g/mol. IUPAC: 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperazin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione.
Chemical Property Profile of 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione
Property Insights of 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 0.599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 102.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione has 3 hydrogen bond donor(s) and 6 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 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione is 577990-61-5.
What is the molecular formula of 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione is C18H22ClN5O3.
What is the molecular weight of 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione is 391.14 g/mol.
Where can I buy 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.