Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt
TL;DR: Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt (CAS 23522-45-4) is a chemical compound with molecular formula C20H44NO5P and molecular weight 409.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-dodecoxypropyl 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: ET 12H, ES 12H, rac-1-Dodecyl-2-hydride-decyl-2-methoxy-glycerophosphocholine, Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt, 3-(dodecyloxy)propyl 2-(trimethylammonio)ethyl phosphate
| Molecular Formula | C20H44NO5P |
|---|---|
| Molecular Weight | 409.30 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 409.29572 |
| Heavy Atoms | 27 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 23522-45-4 |
|---|---|
| SMILES | CCCCCCCCCCCCOCCCOP(=O)([O-])OCC[N+](C)(C)C |
| InChIKey | PMGDJIDELZDRLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt (CAS 23522-45-4), with molecular formula C20H44NO5P and molecular weight 409.30 g/mol. IUPAC: 3-dodecoxypropyl 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt
Property Insights of Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt
The XLogP value of 4.7 indicates that Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt. Following Lipinski's Rule of Five, Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt has 0 hydrogen bond donor(s) and 5 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, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt?
The CAS number of Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt is 23522-45-4.
What is the molecular formula of Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt?
The molecular formula of Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt is C20H44NO5P.
What is the molecular weight of Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt?
The molecular weight of Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt is 409.30 g/mol.
Where can I buy Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt?
You can request a quote for Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt?
Yes, KEHONG BIO provides custom synthesis services for Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.