Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide
TL;DR: Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide (CAS 54921-48-1) is a chemical compound with molecular formula C14H17IN2OS and molecular weight 388.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1H-indol-3-yl(methylsulfanyl)methylidene]morpholin-4-ium iodide
Also Known As: Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide, (Indolyl-3')-1 methylthio-1 morpholidiniminium-1 methane (iodure) [French], 4-[1h-indol-3-yl(methylsulfanyl)methylidene]morpholin-4-iumiodide, (Indolyl-3')-1 methylthio-1 morpholidiniminium-1 methane (iodure), 4-[1H-indol-3-yl(methylsulfanyl)methylidene]morpholin-4-ium iodide
| Molecular Formula | C14H17IN2OS |
|---|---|
| Molecular Weight | 388.01 g/mol |
| LogP | -0.68 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.01062 |
| Heavy Atoms | 19 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 54921-48-1 |
|---|---|
| SMILES | CSC(=[N+]1CCOCC1)C2=CNC3=CC=CC=C32.[I-] |
| InChIKey | QNHQRAFBDHAYJE-UHFFFAOYSA-N |
Product Overview
Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide (CAS 54921-48-1), with molecular formula C14H17IN2OS and molecular weight 388.01 g/mol. IUPAC: 4-[1H-indol-3-yl(methylsulfanyl)methylidene]morpholin-4-ium iodide.
Chemical Property Profile of Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide
Property Insights of Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide
The XLogP value of -0.68 indicates that Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.3 Ų, Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide 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 Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide?
The CAS number of Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide is 54921-48-1.
What is the molecular formula of Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide?
The molecular formula of Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide is C14H17IN2OS.
What is the molecular weight of Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide?
The molecular weight of Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide is 388.01 g/mol.
Where can I buy Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide?
You can request a quote for Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Morpholinium, 4-(3-indolyl(methylthio)methylene)-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.