CTK4E5816
TL;DR: CTK4E5816 (CAS 21074-54-4) is a chemical compound with molecular formula C21H27Br2N3 and molecular weight 479.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[2-(1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl]propyl-trimethylazanium dibromide
Also Known As: 4-(2-Indol-3-ylvinyl)-1-(3-(trimethylammonio)propyl)pyridinium dibromide
| Molecular Formula | C21H27Br2N3 |
|---|---|
| Molecular Weight | 479.06 g/mol |
| LogP | -2.2699 |
| Topological Polar Surface Area | 19.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.05716 |
| Heavy Atoms | 26 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 21074-54-4 |
|---|---|
| SMILES | C[N+](C)(C)CCC[N+]1=CC=C(C=C1)C=CC2=CNC3=CC=CC=C32.[Br-].[Br-] |
| InChIKey | QVZJQXHMPMASMV-UHFFFAOYSA-M |
Product Overview
CTK4E5816 (CAS 21074-54-4), with molecular formula C21H27Br2N3 and molecular weight 479.06 g/mol. IUPAC: 3-[4-[2-(1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl]propyl-trimethylazanium dibromide.
Chemical Property Profile of CTK4E5816
Property Insights of CTK4E5816
The XLogP value of -2.2699 indicates that CTK4E5816 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 19.7 Ų, CTK4E5816 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK4E5816 has 1 hydrogen bond donor(s) and 2 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 CTK4E5816?
The CAS number of CTK4E5816 is 21074-54-4.
What is the molecular formula of CTK4E5816?
The molecular formula of CTK4E5816 is C21H27Br2N3.
What is the molecular weight of CTK4E5816?
The molecular weight of CTK4E5816 is 479.06 g/mol.
Where can I buy CTK4E5816?
You can request a quote for CTK4E5816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4E5816?
Yes, KEHONG BIO provides custom synthesis services for CTK4E5816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.