![1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/7149/714915-11-4.webp)
1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione
TL;DR: 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione (CAS 714915-11-4) is a chemical compound with molecular formula C22H17N5O5 and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione, 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione, 1,3-dimethyl-5-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1,3-diazinane-2,4,6-trione
| Molecular Formula | C22H17N5O5 |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 2.8813 |
| Topological Polar Surface Area | 118.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.12296 |
| Heavy Atoms | 32 |
| Complexity | 1251.8002 |
Chemical Identifiers
| CAS Number | 714915-11-4 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)N(C1=O)C |
Product Overview
1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione (CAS 714915-11-4), with molecular formula C22H17N5O5 and molecular weight 431.12 g/mol. IUPAC: 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione
Property Insights of 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 2.8813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 118.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione has 0 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 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione is 714915-11-4.
What is the molecular formula of 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione is C22H17N5O5.
What is the molecular weight of 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione is 431.12 g/mol.
Where can I buy 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]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 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.