3-Dodecanoylpropanediol-1-phosphorylcholine
TL;DR: 3-Dodecanoylpropanediol-1-phosphorylcholine (CAS 20559-18-6) is a chemical compound with molecular formula C20H42NO7P and molecular weight 439.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-dodecanoyloxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Lysolpc, LPC-lyso, Lauroyl lysolecithin, 3-Dppc, Lysolecithin, lauroyl
| Molecular Formula | C20H42NO7P |
|---|---|
| Molecular Weight | 439.27 g/mol |
| LogP | 3.0192 |
| Topological Polar Surface Area | 105.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 19 |
| Exact Mass | 439.2699 |
| Heavy Atoms | 29 |
| Complexity | 468.2363 |
Chemical Identifiers
| CAS Number | 20559-18-6 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O |
Product Overview
3-Dodecanoylpropanediol-1-phosphorylcholine (CAS 20559-18-6), with molecular formula C20H42NO7P and molecular weight 439.27 g/mol. IUPAC: (3-dodecanoyloxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 3-Dodecanoylpropanediol-1-phosphorylcholine
Property Insights of 3-Dodecanoylpropanediol-1-phosphorylcholine
The XLogP value of 3.0192 indicates that 3-Dodecanoylpropanediol-1-phosphorylcholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Dodecanoylpropanediol-1-phosphorylcholine. Following Lipinski's Rule of Five, 3-Dodecanoylpropanediol-1-phosphorylcholine has 1 hydrogen bond donor(s) and 7 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 3-Dodecanoylpropanediol-1-phosphorylcholine?
The CAS number of 3-Dodecanoylpropanediol-1-phosphorylcholine is 20559-18-6.
What is the molecular formula of 3-Dodecanoylpropanediol-1-phosphorylcholine?
The molecular formula of 3-Dodecanoylpropanediol-1-phosphorylcholine is C20H42NO7P.
What is the molecular weight of 3-Dodecanoylpropanediol-1-phosphorylcholine?
The molecular weight of 3-Dodecanoylpropanediol-1-phosphorylcholine is 439.27 g/mol.
Where can I buy 3-Dodecanoylpropanediol-1-phosphorylcholine?
You can request a quote for 3-Dodecanoylpropanediol-1-phosphorylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dodecanoylpropanediol-1-phosphorylcholine?
Yes, KEHONG BIO provides custom synthesis services for 3-Dodecanoylpropanediol-1-phosphorylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.