5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 840477-76-1) is a chemical compound with molecular formula C25H25N3O4 and molecular weight 431.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-[2-(2,4-dimethylphenoxy)ethyl]indol-3-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-({1-[2-(2,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[[1-[2-(2,4-dimethylphenoxy)ethyl]indol-3-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C25H25N3O4 |
|---|---|
| Molecular Weight | 431.18 g/mol |
| LogP | 3.77094 |
| Topological Polar Surface Area | 71.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.1845 |
| Heavy Atoms | 32 |
| Complexity | 1245.4277 |
Chemical Identifiers
| CAS Number | 840477-76-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=C4C(=O)N(C(=O)N(C4=O)C)C)C |
Product Overview
5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 840477-76-1), with molecular formula C25H25N3O4 and molecular weight 431.18 g/mol. IUPAC: 5-[[1-[2-(2,4-dimethylphenoxy)ethyl]indol-3-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.77094 indicates that 5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione has 0 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-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 840477-76-1.
What is the molecular formula of 5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is C25H25N3O4.
What is the molecular weight of 5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 431.18 g/mol.
Where can I buy 5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-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 5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-((1-(2-(2,4-dimethylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.