1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide
TL;DR: 1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide (CAS 169330-01-2) is a chemical compound with molecular formula C15H19IN4O and molecular weight 398.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-ethyl-5-phenyl-1,2,4-triazin-1-ium-3-yl)morpholine iodide
Also Known As: 1-ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide, 4-(1-ethyl-5-phenyl-1,2,4-triazin-3-yl)morpholine, iodide, 4-(1-ethyl-5-phenyl-1,2,4-triazin-1-ium-3-yl)morpholine iodide, 4-(1-ethyl-5-phenyl-1,2,4-triazin-1-ium-3-yl)morpholine;iodide
| Molecular Formula | C15H19IN4O |
|---|---|
| Molecular Weight | 398.06 g/mol |
| LogP | -1.7084 |
| Topological Polar Surface Area | 42.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.06036 |
| Heavy Atoms | 21 |
| Complexity | 573.14124 |
Chemical Identifiers
| CAS Number | 169330-01-2 |
|---|---|
| SMILES | CC[N+]1=NC(=NC(=C1)C2=CC=CC=C2)N3CCOCC3.[I-] |
Product Overview
1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide (CAS 169330-01-2), with molecular formula C15H19IN4O and molecular weight 398.06 g/mol. IUPAC: 4-(1-ethyl-5-phenyl-1,2,4-triazin-1-ium-3-yl)morpholine iodide.
Chemical Property Profile of 1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide
Property Insights of 1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide
The XLogP value of -1.7084 indicates that 1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.13 Ų, 1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide has 0 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 1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide?
The CAS number of 1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide is 169330-01-2.
What is the molecular formula of 1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide?
The molecular formula of 1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide is C15H19IN4O.
What is the molecular weight of 1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide?
The molecular weight of 1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide is 398.06 g/mol.
Where can I buy 1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide?
You can request a quote for 1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.