(E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 841209-97-0) is a chemical compound with molecular formula C23H31N3O3 and molecular weight 397.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione
Also Known As: (E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione, (5E)-5-[(1-butyl-2,3-dihydro-1H-indol-5-yl)methylidene]-3-hexyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C23H31N3O3 |
|---|---|
| Molecular Weight | 397.24 g/mol |
| LogP | 3.8913 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 397.23654 |
| Heavy Atoms | 29 |
| Complexity | 815.5861 |
Chemical Identifiers
| CAS Number | 841209-97-0 |
|---|---|
| SMILES | CCCCCCN1C(=O)/C(=C/C2=CC3=C(C=C2)N(CC3)CCCC)/C(=O)NC1=O |
Product Overview
(E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 841209-97-0), with molecular formula C23H31N3O3 and molecular weight 397.24 g/mol. IUPAC: (5E)-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.8913 indicates that (E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione has 1 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 (E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione is 841209-97-0.
What is the molecular formula of (E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione is C23H31N3O3.
What is the molecular weight of (E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione is 397.24 g/mol.
Where can I buy (E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-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)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-((1-butylindolin-5-yl)methylene)-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.