![1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/714/714947-47-4.png)
1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione
TL;DR: 1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione (CAS 714947-47-4) is a chemical compound with molecular formula C19H20ClN5O3 and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: 1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione, (E)-5-(1-((3-(1H-imidazol-1-yl)propyl)amino)propylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-(4-chlorophenyl)-6-hydroxy-5-(1-{[3-(1H-imidazol-1-yl)propyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C19H20ClN5O3 |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 2.3707 |
| Topological Polar Surface Area | 105.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.12546 |
| Heavy Atoms | 28 |
| Complexity | 1082.2472 |
Chemical Identifiers
| CAS Number | 714947-47-4 |
|---|---|
| SMILES | CCC(=NCCCN1C=CN=C1)C2=C(N(C(=O)NC2=O)C3=CC=C(C=C3)Cl)O |
Product Overview
1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione (CAS 714947-47-4), with molecular formula C19H20ClN5O3 and molecular weight 401.13 g/mol. IUPAC: 1-(4-chlorophenyl)-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of 1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione
Property Insights of 1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 2.3707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 105.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione has 2 hydrogen bond donor(s) and 5 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-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of 1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione is 714947-47-4.
What is the molecular formula of 1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of 1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione is C19H20ClN5O3.
What is the molecular weight of 1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of 1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione is 401.13 g/mol.
Where can I buy 1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for 1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-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-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.