2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium
TL;DR: 2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium (CAS 79351-08-9) is a chemical compound with molecular formula C7H18FNO2P+ and molecular weight 198.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium
Also Known As: NIOSH/BR5778100, Methyl fluorophosphoryl beta-methylcholine, 2-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium, J2.136.478I, (2-Hydroxypropyl)trimethylammonium methylphosphonofluoridate
| Molecular Formula | C7H18FNO2P+ |
|---|---|
| Molecular Weight | 198.11 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.10593 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 79351-08-9 |
|---|---|
| SMILES | CC(C[N+](C)(C)C)OP(=O)(C)F |
| InChIKey | KNUWEQNYQILYOW-UHFFFAOYSA-N |
Product Overview
2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium (CAS 79351-08-9), with molecular formula C7H18FNO2P+ and molecular weight 198.11 g/mol. IUPAC: 2-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium.
Chemical Property Profile of 2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium
Property Insights of 2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium. With a topological polar surface area (TPSA) of 26.3 Ų, 2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium has 0 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 2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium?
The CAS number of 2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium is 79351-08-9.
What is the molecular formula of 2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium?
The molecular formula of 2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium is C7H18FNO2P+.
What is the molecular weight of 2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium?
The molecular weight of 2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium is 198.11 g/mol.
Where can I buy 2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium?
You can request a quote for 2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium?
Yes, KEHONG BIO provides custom synthesis services for 2-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.