(E)-1-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 676589-91-6) is a chemical compound with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(1-ethylindol-3-yl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: (E)-1-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-[(1-ethylindol-3-yl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione, (5E)-5-[(1-ethyl-1H-indol-3-yl)methylidene]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C18H17N3O3 |
|---|---|
| Molecular Weight | 323.13 g/mol |
| LogP | 2.309 |
| Topological Polar Surface Area | 71.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.12698 |
| Heavy Atoms | 24 |
| Complexity | 892.0461 |
Chemical Identifiers
| CAS Number | 676589-91-6 |
|---|---|
| SMILES | CCN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)NC(=O)N(C3=O)CC=C |
Product Overview
(E)-1-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 676589-91-6), with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol. IUPAC: (5E)-5-[(1-ethylindol-3-yl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (E)-1-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 71.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)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 (E)-1-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 676589-91-6.
What is the molecular formula of (E)-1-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is C18H17N3O3.
What is the molecular weight of (E)-1-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 323.13 g/mol.
Where can I buy (E)-1-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-allyl-5-((1-ethyl-1H-indol-3-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-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-allyl-5-((1-ethyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.