![1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/714/714233-55-3.png)
1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione
TL;DR: 1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione (CAS 714233-55-3) is a chemical compound with molecular formula C21H19ClN4O3 and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-6-hydroxy-5-[(2-pyrrolidin-1-ylphenyl)iminomethyl]pyrimidine-2,4-dione
Also Known As: 1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-(4-chlorophenyl)-6-hydroxy-5-({[2-(pyrrolidin-1-yl)phenyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione, (E)-1-(4-chlorophenyl)-5-(((2-(pyrrolidin-1-yl)phenyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C21H19ClN4O3 |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 3.2356 |
| Topological Polar Surface Area | 90.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.11456 |
| Heavy Atoms | 29 |
| Complexity | 1175.766 |
Chemical Identifiers
| CAS Number | 714233-55-3 |
|---|---|
| SMILES | C1CCN(C1)C2=CC=CC=C2N=CC3=C(N(C(=O)NC3=O)C4=CC=C(C=C4)Cl)O |
Product Overview
1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione (CAS 714233-55-3), with molecular formula C21H19ClN4O3 and molecular weight 410.11 g/mol. IUPAC: 1-(4-chlorophenyl)-6-hydroxy-5-[(2-pyrrolidin-1-ylphenyl)iminomethyl]pyrimidine-2,4-dione.
Chemical Property Profile of 1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione
Property Insights of 1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 3.2356 indicates that 1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-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-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of 1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione is 714233-55-3.
What is the molecular formula of 1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of 1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione is C21H19ClN4O3.
What is the molecular weight of 1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of 1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione is 410.11 g/mol.
Where can I buy 1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for 1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-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-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-5-[(2-pyrrolidin-1-ylanilino)methylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.