5-((1-(2-chlorobenzyl)indolin-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-((1-(2-chlorobenzyl)indolin-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 840517-84-2) is a chemical compound with molecular formula C22H20ClN3O3 and molecular weight 409.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-5-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-((1-(2-chlorobenzyl)indolin-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[[1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-5-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C22H20ClN3O3 |
|---|---|
| Molecular Weight | 409.12 g/mol |
| LogP | 3.3365 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.11932 |
| Heavy Atoms | 29 |
| Complexity | 1037.0181 |
Chemical Identifiers
| CAS Number | 840517-84-2 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC3=C(C=C2)N(CC3)CC4=CC=CC=C4Cl)C(=O)N(C1=O)C |
Product Overview
5-((1-(2-chlorobenzyl)indolin-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 840517-84-2), with molecular formula C22H20ClN3O3 and molecular weight 409.12 g/mol. IUPAC: 5-[[1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-5-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-((1-(2-chlorobenzyl)indolin-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-((1-(2-chlorobenzyl)indolin-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.3365 indicates that 5-((1-(2-chlorobenzyl)indolin-5-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 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((1-(2-chlorobenzyl)indolin-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-((1-(2-chlorobenzyl)indolin-5-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-chlorobenzyl)indolin-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-((1-(2-chlorobenzyl)indolin-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 840517-84-2.
What is the molecular formula of 5-((1-(2-chlorobenzyl)indolin-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-((1-(2-chlorobenzyl)indolin-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is C22H20ClN3O3.
What is the molecular weight of 5-((1-(2-chlorobenzyl)indolin-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-((1-(2-chlorobenzyl)indolin-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 409.12 g/mol.
Where can I buy 5-((1-(2-chlorobenzyl)indolin-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-((1-(2-chlorobenzyl)indolin-5-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-chlorobenzyl)indolin-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-((1-(2-chlorobenzyl)indolin-5-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.