Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)-
TL;DR: Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)- (CAS 119558-21-3) is a chemical compound with molecular formula C17H29I2NO2S and molecular weight 565.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4R)-4-hydroxy-4-(3-methoxyphenyl)-1-methylthian-1-ium-3-yl]methyl-trimethylazanium diiodide
Also Known As: Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)-, [(3R,4R)-4-hydroxy-4-(3-methoxyphenyl)-1-methylthian-1-ium-3-yl]methyl-trimethylazanium diiodide, Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)-(+-)-
| Molecular Formula | C17H29I2NO2S |
|---|---|
| Molecular Weight | 565.00 g/mol |
| LogP | -4.135 |
| Topological Polar Surface Area | 29.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 565.00085 |
| Heavy Atoms | 23 |
| Complexity | 495.72687 |
Chemical Identifiers
| CAS Number | 119558-21-3 |
|---|---|
| SMILES | C[N+](C)(C)C[C@H]1C[S+](CC[C@@]1(C2=CC(=CC=C2)OC)O)C.[I-].[I-] |
Product Overview
Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)- (CAS 119558-21-3), with molecular formula C17H29I2NO2S and molecular weight 565.00 g/mol. IUPAC: [(3R,4R)-4-hydroxy-4-(3-methoxyphenyl)-1-methylthian-1-ium-3-yl]methyl-trimethylazanium diiodide.
Chemical Property Profile of Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)-
Property Insights of Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)-
The XLogP value of -4.135 indicates that Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.46 Ų, Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)-?
The CAS number of Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)- is 119558-21-3.
What is the molecular formula of Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)-?
The molecular formula of Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)- is C17H29I2NO2S.
What is the molecular weight of Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)-?
The molecular weight of Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)- is 565.00 g/mol.
Where can I buy Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)-?
You can request a quote for Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)-?
Yes, KEHONG BIO provides custom synthesis services for Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.