(E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 674364-93-3) is a chemical compound with molecular formula C25H22ClN3O4 and molecular weight 463.13 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-[[1-[2-(2-methylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-(3-chloro-4-methylphenyl)-5-[[1-[2-(2-methylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-(3-chloro-4-methylphenyl)-6-hydroxy-5-({1-[2-(2-methylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C25H22ClN3O4 |
|---|---|
| Molecular Weight | 463.13 g/mol |
| LogP | 4.50374 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.12988 |
| Heavy Atoms | 33 |
| Complexity | 1278.1614 |
Chemical Identifiers
| CAS Number | 674364-93-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC=CN3CCOC4=CC=CC=C4C)/C(=O)NC2=O)Cl |
Product Overview
(E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 674364-93-3), with molecular formula C25H22ClN3O4 and molecular weight 463.13 g/mol. IUPAC: (5E)-1-(3-chloro-4-methylphenyl)-5-[[1-[2-(2-methylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 4.50374 indicates that (E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione has 1 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 (E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 674364-93-3.
What is the molecular formula of (E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is C25H22ClN3O4.
What is the molecular weight of (E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 463.13 g/mol.
Where can I buy (E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)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-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(3-chloro-4-methylphenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.