Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate
TL;DR: Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate (CAS 74518-87-9) is a chemical compound with molecular formula C15H27N2O3P and molecular weight 314.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2-methyl-1-phenylpropan-2-yl)amino]-[2-(trimethylazaniumyl)ethoxy]phosphinate
Also Known As: Dimethyl-1,1-phenethylamidophosphate de choline, Dimethyl-1,1-phenethylamidophosphate de choline [French], Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate, [(2-methyl-1-phenylpropan-2-yl)amino]-[2-(trimethylazaniumyl)ethoxy]phosphinate, RefChem:334000
| Molecular Formula | C15H27N2O3P |
|---|---|
| Molecular Weight | 314.18 g/mol |
| LogP | 1.7885 |
| Topological Polar Surface Area | 61.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.17593 |
| Heavy Atoms | 21 |
| Complexity | 483.44214 |
Chemical Identifiers
| CAS Number | 74518-87-9 |
|---|---|
| SMILES | CC(C)(CC1=CC=CC=C1)NP(=O)([O-])OCC[N+](C)(C)C |
Product Overview
Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate (CAS 74518-87-9), with molecular formula C15H27N2O3P and molecular weight 314.18 g/mol. IUPAC: [(2-methyl-1-phenylpropan-2-yl)amino]-[2-(trimethylazaniumyl)ethoxy]phosphinate.
Chemical Property Profile of Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate
Property Insights of Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate
The XLogP value of 1.7885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate. The TPSA of 61.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate. Following Lipinski's Rule of Five, Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate 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 Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate?
The CAS number of Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate is 74518-87-9.
What is the molecular formula of Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate?
The molecular formula of Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate is C15H27N2O3P.
What is the molecular weight of Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate?
The molecular weight of Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate is 314.18 g/mol.
Where can I buy Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate?
You can request a quote for Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate?
Yes, KEHONG BIO provides custom synthesis services for Choline, inner salt, N-(alpha,alpha-dimethylphenethyl)phosphoramidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.