(E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 537020-99-8) is a chemical compound with molecular formula C20H17ClN4O5 and molecular weight 428.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(3-chloro-4-methylphenyl)-5-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-(3-chloro-4-methylphenyl)-5-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-(3-chloro-4-methylphenyl)-5-[4-(dimethylamino)-3-nitrobenzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C20H17ClN4O5 |
|---|---|
| Molecular Weight | 428.09 g/mol |
| LogP | 3.28902 |
| Topological Polar Surface Area | 112.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.08875 |
| Heavy Atoms | 30 |
| Complexity | 1126.175 |
Chemical Identifiers
| CAS Number | 537020-99-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])/C(=O)NC2=O)Cl |
Product Overview
(E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 537020-99-8), with molecular formula C20H17ClN4O5 and molecular weight 428.09 g/mol. IUPAC: (5E)-1-(3-chloro-4-methylphenyl)-5-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.28902 indicates that (E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione has 1 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 (E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 537020-99-8.
What is the molecular formula of (E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C20H17ClN4O5.
What is the molecular weight of (E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 428.09 g/mol.
Where can I buy (E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(3-chloro-4-methylphenyl)-5-(4-(dimethylamino)-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.