1-Phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate
TL;DR: 1-Phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate (CAS 53103-51-8) is a chemical compound with molecular formula C14H24NO4P and molecular weight 301.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: 1-phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate, Choline, inner salt, (alpha-ethylbenzyl)phosphate, Phenyl-1-ethyl-1-methyl-1-phosphate de choline, Phenyl-1-ethyl-1-methyl-1-phosphate de choline [French], RefChem:1056350
| Molecular Formula | C14H24NO4P |
|---|---|
| Molecular Weight | 301.14 g/mol |
| LogP | 2.3455 |
| Topological Polar Surface Area | 58.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 301.1443 |
| Heavy Atoms | 20 |
| Complexity | 444.23718 |
Chemical Identifiers
| CAS Number | 53103-51-8 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)OP(=O)([O-])OCC[N+](C)(C)C |
Product Overview
1-Phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate (CAS 53103-51-8), with molecular formula C14H24NO4P and molecular weight 301.14 g/mol. IUPAC: 1-phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 1-Phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate
Property Insights of 1-Phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate
The XLogP value of 2.3455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate. With a topological polar surface area (TPSA) of 58.59 Ų, 1-Phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylpropyl 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 1-Phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate?
The CAS number of 1-Phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate is 53103-51-8.
What is the molecular formula of 1-Phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate?
The molecular formula of 1-Phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate is C14H24NO4P.
What is the molecular weight of 1-Phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate?
The molecular weight of 1-Phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate is 301.14 g/mol.
Where can I buy 1-Phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate?
You can request a quote for 1-Phenylpropyl 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 1-Phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.