1,3-Di-O-octadecenylglycero-2-phosphocholine
TL;DR: 1,3-Di-O-octadecenylglycero-2-phosphocholine (CAS 19229-69-7) is a chemical compound with molecular formula C44H84NO8P and molecular weight 785.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yl 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Doe-2-PC, 1,3-Di-O-octadecenylglycero-2-phosphocholine, 1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yl 2-(trimethylazaniumyl)ethyl phosphate, 3,5,8-Trioxa-4-phosphahexacos-17-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-6-(((1-oxo-9-octadecenyl)oxy)methyl)-, inner salt, 4-oxide, (Z,Z)-, RefChem:72566
| Molecular Formula | C44H84NO8P |
|---|---|
| Molecular Weight | 785.59 g/mol |
| LogP | 11.7242 |
| Topological Polar Surface Area | 111.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 40 |
| Exact Mass | 785.59344 |
| Heavy Atoms | 54 |
| Complexity | 924.12427 |
Chemical Identifiers
| CAS Number | 19229-69-7 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OP(=O)(OCC[N+](C)(C)C)[O-])COC(=O)CCCCCCC/C=C\CCCCCCCC |
Product Overview
1,3-Di-O-octadecenylglycero-2-phosphocholine (CAS 19229-69-7), with molecular formula C44H84NO8P and molecular weight 785.59 g/mol. IUPAC: 1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yl 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 1,3-Di-O-octadecenylglycero-2-phosphocholine
Property Insights of 1,3-Di-O-octadecenylglycero-2-phosphocholine
The XLogP value of 11.7242 indicates that 1,3-Di-O-octadecenylglycero-2-phosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Di-O-octadecenylglycero-2-phosphocholine. Following Lipinski's Rule of Five, 1,3-Di-O-octadecenylglycero-2-phosphocholine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Di-O-octadecenylglycero-2-phosphocholine?
The CAS number of 1,3-Di-O-octadecenylglycero-2-phosphocholine is 19229-69-7.
What is the molecular formula of 1,3-Di-O-octadecenylglycero-2-phosphocholine?
The molecular formula of 1,3-Di-O-octadecenylglycero-2-phosphocholine is C44H84NO8P.
What is the molecular weight of 1,3-Di-O-octadecenylglycero-2-phosphocholine?
The molecular weight of 1,3-Di-O-octadecenylglycero-2-phosphocholine is 785.59 g/mol.
Where can I buy 1,3-Di-O-octadecenylglycero-2-phosphocholine?
You can request a quote for 1,3-Di-O-octadecenylglycero-2-phosphocholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Di-O-octadecenylglycero-2-phosphocholine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Di-O-octadecenylglycero-2-phosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.