![5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione structure](/static/products/4017/40176-21-4.webp)
5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
TL;DR: 5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione (CAS 40176-21-4) is a chemical compound with molecular formula C15H17N3O3 and molecular weight 287.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-(diethylamino)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: UPCMLD0ENAT5851186:001, BAS 00343430, 5-(4-Diethylamino-benzylidene)-pyrimidine-2,4,6-trione, A0754/0035254, 5-{[4-(DIETHYLAMINO)PHENYL]METHYLIDENE}-1,3-DIAZINANE-2,4,6-TRIONE
| Molecular Formula | C15H17N3O3 |
|---|---|
| Molecular Weight | 287.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.12698 |
| Heavy Atoms | 21 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 40176-21-4 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O |
| InChIKey | HNJWTHLJVIZNGM-UHFFFAOYSA-N |
Product Overview
5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione (CAS 40176-21-4), with molecular formula C15H17N3O3 and molecular weight 287.13 g/mol. IUPAC: 5-[[4-(diethylamino)phenyl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
Property Insights of 5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione has 2 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 5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione?
The CAS number of 5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione is 40176-21-4.
What is the molecular formula of 5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione is C15H17N3O3.
What is the molecular weight of 5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione is 287.13 g/mol.
Where can I buy 5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-{[4-(Diethylamino)phenyl]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 5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-{[4-(Diethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.