![1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/4868/4868-49-9.webp)
1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione
TL;DR: 1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione (CAS 4868-49-9) is a chemical compound with molecular formula C23H21ClN4O3 and molecular weight 436.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-6-hydroxy-5-[1-(1H-indol-3-yl)butan-2-yliminomethyl]pyrimidine-2,4-dione
Also Known As: 1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione, 1-(2-Chlorophenyl)-5-({[1-(1H-indol-3-yl)butan-2-yl]amino}methylidene)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C23H21ClN4O3 |
|---|---|
| Molecular Weight | 436.13 g/mol |
| LogP | 3.8063 |
| Topological Polar Surface Area | 103.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.13022 |
| Heavy Atoms | 31 |
| Complexity | 1383.5934 |
Chemical Identifiers
| CAS Number | 4868-49-9 |
|---|---|
| SMILES | CCC(CC1=CNC2=CC=CC=C21)N=CC3=C(N(C(=O)NC3=O)C4=CC=CC=C4Cl)O |
Product Overview
1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione (CAS 4868-49-9), with molecular formula C23H21ClN4O3 and molecular weight 436.13 g/mol. IUPAC: 1-(2-chlorophenyl)-6-hydroxy-5-[1-(1H-indol-3-yl)butan-2-yliminomethyl]pyrimidine-2,4-dione.
Chemical Property Profile of 1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione
Property Insights of 1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 3.8063 indicates that 1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione has 3 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 1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of 1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione is 4868-49-9.
What is the molecular formula of 1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of 1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione is C23H21ClN4O3.
What is the molecular weight of 1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of 1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione is 436.13 g/mol.
Where can I buy 1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for 1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chlorophenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.