![(5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/444/444089-55-8.png)
(5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 444089-55-8) is a chemical compound with molecular formula C22H14FN3O3 and molecular weight 387.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-fluorophenyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione, (E)-1-(4-fluorophenyl)-5-((1-(prop-2-yn-1-yl)-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-(4-fluorophenyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-(4-fluorophenyl)-6-hydroxy-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4(3H,5H)-dione, 1-(4-fluorophenyl)-5-[(1-prop-2-ynylindol-3-yl)methylene]-1,3-dihydropyrimidin e-2,4,6-trione
| Molecular Formula | C22H14FN3O3 |
|---|---|
| Molecular Weight | 387.10 g/mol |
| LogP | 3.08 |
| Topological Polar Surface Area | 71.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.10193 |
| Heavy Atoms | 29 |
| Complexity | 1232.4161 |
Chemical Identifiers
| CAS Number | 444089-55-8 |
|---|---|
| SMILES | C#CCN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F |
Product Overview
(5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 444089-55-8), with molecular formula C22H14FN3O3 and molecular weight 387.10 g/mol. IUPAC: (5E)-1-(4-fluorophenyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.08 indicates that (5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione has 1 hydrogen bond donor(s) and 3 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 (5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione is 444089-55-8.
What is the molecular formula of (5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione is C22H14FN3O3.
What is the molecular weight of (5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione is 387.10 g/mol.
Where can I buy (5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}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 (5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(4-fluorophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.