(E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 850901-08-5) is a chemical compound with molecular formula C17H21ClN4O3 and molecular weight 364.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-methylphenyl)-5-[3-(dimethylamino)propyliminomethyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: (E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-(3-chloro-4-methylphenyl)-5-[[3-(dimethylamino)propylamino]methylidene]-1,3-diazinane-2,4,6-trione, 1-(3-chloro-4-methylphenyl)-5-[[3-(dimethylamino)propylamino]methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C17H21ClN4O3 |
|---|---|
| Molecular Weight | 364.13 g/mol |
| LogP | 1.56382 |
| Topological Polar Surface Area | 90.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.13022 |
| Heavy Atoms | 25 |
| Complexity | 899.7416 |
Chemical Identifiers
| CAS Number | 850901-08-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=C(C(=O)NC2=O)C=NCCCN(C)C)O)Cl |
Product Overview
(E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 850901-08-5), with molecular formula C17H21ClN4O3 and molecular weight 364.13 g/mol. IUPAC: 1-(3-chloro-4-methylphenyl)-5-[3-(dimethylamino)propyliminomethyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of (E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 1.56382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 90.69 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-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 (E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 850901-08-5.
What is the molecular formula of (E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is C17H21ClN4O3.
What is the molecular weight of (E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 364.13 g/mol.
Where can I buy (E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)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-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(3-chloro-4-methylphenyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.