2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate
TL;DR: 2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate (CAS 21991-72-0) is a chemical compound with molecular formula C9H22NO4P and molecular weight 239.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Isobutyl phosphocholine, 2-methylpropyl 2-(trimethylazaniumyl)ethyl phosphate, 2-[Isobutoxy(oxylato)phosphinyloxy]-N,N,N-trimethylethanaminium, Trimethyl-[2-(2-methylpropoxy-oxido-phosphoryl)oxyethyl]azanium
| Molecular Formula | C9H22NO4P |
|---|---|
| Molecular Weight | 239.13 g/mol |
| LogP | 0.8502 |
| Topological Polar Surface Area | 58.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.12865 |
| Heavy Atoms | 15 |
| Complexity | 224.64246 |
Chemical Identifiers
| CAS Number | 21991-72-0 |
|---|---|
| SMILES | CC(C)COP(=O)([O-])OCC[N+](C)(C)C |
Product Overview
2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate (CAS 21991-72-0), with molecular formula C9H22NO4P and molecular weight 239.13 g/mol. IUPAC: 2-methylpropyl 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate
Property Insights of 2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate
The XLogP value of 0.8502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate. With a topological polar surface area (TPSA) of 58.59 Ų, 2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate 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 2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate?
The CAS number of 2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate is 21991-72-0.
What is the molecular formula of 2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate?
The molecular formula of 2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate is C9H22NO4P.
What is the molecular weight of 2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate?
The molecular weight of 2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate is 239.13 g/mol.
Where can I buy 2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate?
You can request a quote for 2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl 2-(trimethylazaniumyl)ethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.