(Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 577960-33-9) is a chemical compound with molecular formula C21H24N4O3 and molecular weight 380.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[N-[1-(1H-indol-3-yl)butan-2-yl]-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
Also Known As: (Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[1-[1-(1H-indol-3-yl)butan-2-ylamino]ethylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione, (5Z)-6-hydroxy-5-(1-{[1-(1H-indol-3-yl)butan-2-yl]amino}ethylidene)-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C21H24N4O3 |
|---|---|
| Molecular Weight | 380.18 g/mol |
| LogP | 2.7398 |
| Topological Polar Surface Area | 103.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.18484 |
| Heavy Atoms | 28 |
| Complexity | 1150.4025 |
Chemical Identifiers
| CAS Number | 577960-33-9 |
|---|---|
| SMILES | CCC(CC1=CNC2=CC=CC=C21)N=C(C)C3=C(N(C(=O)NC3=O)CC=C)O |
Product Overview
(Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 577960-33-9), with molecular formula C21H24N4O3 and molecular weight 380.18 g/mol. IUPAC: 6-hydroxy-5-[N-[1-(1H-indol-3-yl)butan-2-yl]-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione.
Chemical Property Profile of (Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.7398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 103.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-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 (Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione is 577960-33-9.
What is the molecular formula of (Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione is C21H24N4O3.
What is the molecular weight of (Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione is 380.18 g/mol.
Where can I buy (Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-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 (Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-(1-((1-(1H-indol-3-yl)butan-2-yl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.