1-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 1-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 6452-99-9) is a chemical compound with molecular formula C19H15ClN4O5 and molecular weight 414.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5-[(4,5-dimethyl-2-nitrophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: 1-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione, 1-(4-chlorophenyl)-5-[(4,5-dimethyl-2-nitroanilino)methylidene]-1,3-diazinane-2,4,6-trione, 1-(4-chlorophenyl)-5-[(4,5-dimethyl-2-nitrophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione, (5Z)-1-(4-chlorophenyl)-5-[(4,5-dimethyl-2-nitroanilino)methylidene]-1,3-diazinane-2,4,6-trione, (5Z)-1-(4-chlorophenyl)-5-{[(4,5-dimethyl-2-nitrophenyl)amino]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C19H15ClN4O5 |
|---|---|
| Molecular Weight | 414.07 g/mol |
| LogP | 3.16044 |
| Topological Polar Surface Area | 130.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.0731 |
| Heavy Atoms | 29 |
| Complexity | 1259.3168 |
Chemical Identifiers
| CAS Number | 6452-99-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)[N+](=O)[O-])N=CC2=C(N(C(=O)NC2=O)C3=CC=C(C=C3)Cl)O |
Product Overview
1-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 6452-99-9), with molecular formula C19H15ClN4O5 and molecular weight 414.07 g/mol. IUPAC: 1-(4-chlorophenyl)-5-[(4,5-dimethyl-2-nitrophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of 1-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 1-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 3.16044 indicates that 1-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione has 2 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-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 1-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 6452-99-9.
What is the molecular formula of 1-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 1-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is C19H15ClN4O5.
What is the molecular weight of 1-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 1-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 414.07 g/mol.
Where can I buy 1-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 1-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione 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-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-5-({2-nitro-4,5-dimethylanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.