n-Octylphosphorylcholine
TL;DR: n-Octylphosphorylcholine (CAS 67352-01-6) is a chemical compound with molecular formula C13H30NO4P and molecular weight 295.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: n-Octylphosphorylcholine, NOPPC, starbld0007390, O-(Octylphosphoryl)choline solution, Phosphocholine octyl ester
| Molecular Formula | C13H30NO4P |
|---|---|
| Molecular Weight | 295.19 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 295.19125 |
| Heavy Atoms | 19 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 67352-01-6 |
|---|---|
| SMILES | CCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C |
| InChIKey | MDNHUELOANFCGT-UHFFFAOYSA-N |
Product Overview
n-Octylphosphorylcholine (CAS 67352-01-6), with molecular formula C13H30NO4P and molecular weight 295.19 g/mol. IUPAC: octyl 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of n-Octylphosphorylcholine
Property Insights of n-Octylphosphorylcholine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Octylphosphorylcholine. With a topological polar surface area (TPSA) of 58.6 Ų, n-Octylphosphorylcholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Octylphosphorylcholine 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 n-Octylphosphorylcholine?
The CAS number of n-Octylphosphorylcholine is 67352-01-6.
What is the molecular formula of n-Octylphosphorylcholine?
The molecular formula of n-Octylphosphorylcholine is C13H30NO4P.
What is the molecular weight of n-Octylphosphorylcholine?
The molecular weight of n-Octylphosphorylcholine is 295.19 g/mol.
Where can I buy n-Octylphosphorylcholine?
You can request a quote for n-Octylphosphorylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Octylphosphorylcholine?
Yes, KEHONG BIO provides custom synthesis services for n-Octylphosphorylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.