p-Nitrophenylphosphocholine
TL;DR: p-Nitrophenylphosphocholine (CAS 21064-69-7) is a chemical compound with molecular formula C11H18N2O6P+ and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[hydroxy-(4-nitrophenoxy)phosphoryl]oxyethyl-trimethylazanium
Also Known As: NPPC, p-nitrophenylphosphocholine, NPCC, nitrophenylphosphocholine, 1dl7
| Molecular Formula | C11H18N2O6P+ |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.09024 |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 21064-69-7 |
|---|---|
| SMILES | C[N+](C)(C)CCOP(=O)(O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | NAIXASFEPQPICN-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Nitrophenylphosphocholine (CAS 21064-69-7), with molecular formula C11H18N2O6P+ and molecular weight 305.09 g/mol. IUPAC: 2-[hydroxy-(4-nitrophenoxy)phosphoryl]oxyethyl-trimethylazanium.
Chemical Property Profile of p-Nitrophenylphosphocholine
Property Insights of p-Nitrophenylphosphocholine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Nitrophenylphosphocholine. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Nitrophenylphosphocholine. Following Lipinski's Rule of Five, p-Nitrophenylphosphocholine has 1 hydrogen bond donor(s) and 6 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 p-Nitrophenylphosphocholine?
The CAS number of p-Nitrophenylphosphocholine is 21064-69-7.
What is the molecular formula of p-Nitrophenylphosphocholine?
The molecular formula of p-Nitrophenylphosphocholine is C11H18N2O6P+.
What is the molecular weight of p-Nitrophenylphosphocholine?
The molecular weight of p-Nitrophenylphosphocholine is 305.09 g/mol.
Where can I buy p-Nitrophenylphosphocholine?
You can request a quote for p-Nitrophenylphosphocholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Nitrophenylphosphocholine?
Yes, KEHONG BIO provides custom synthesis services for p-Nitrophenylphosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.