1,2-Dierucoylphosphatidylcholine
TL;DR: 1,2-Dierucoylphosphatidylcholine (CAS 51779-95-4) is a chemical compound with molecular formula C52H101NO8P+ and molecular weight 898.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2R)-2,3-bis[[(Z)-docos-13-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Also Known As: 1,2-Dierucoylphosphatidylcholine, 1,2-Dierucoyl-sn-glycero-3-phosphocholine, 779D954, 1,2-Di(cis-13-docosenoyl)-sn-glycero-3-phosphocholine, O-[1-O,2-O-Bis[(Z)-1-oxo-13-docosene-1-yl]-L-glycero-3-phospho]choline
| Molecular Formula | C52H101NO8P+ |
|---|---|
| Molecular Weight | 898.73 g/mol |
| LogP | 15.477 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 48 |
| Exact Mass | 898.7265 |
| Heavy Atoms | 62 |
| Complexity | 1106.824 |
Chemical Identifiers
| CAS Number | 51779-95-4 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC |
Product Overview
1,2-Dierucoylphosphatidylcholine (CAS 51779-95-4), with molecular formula C52H101NO8P+ and molecular weight 898.73 g/mol. IUPAC: 2-[[(2R)-2,3-bis[[(Z)-docos-13-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium.
Chemical Property Profile of 1,2-Dierucoylphosphatidylcholine
Property Insights of 1,2-Dierucoylphosphatidylcholine
The XLogP value of 15.477 indicates that 1,2-Dierucoylphosphatidylcholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dierucoylphosphatidylcholine. Following Lipinski's Rule of Five, 1,2-Dierucoylphosphatidylcholine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Dierucoylphosphatidylcholine?
The CAS number of 1,2-Dierucoylphosphatidylcholine is 51779-95-4.
What is the molecular formula of 1,2-Dierucoylphosphatidylcholine?
The molecular formula of 1,2-Dierucoylphosphatidylcholine is C52H101NO8P+.
What is the molecular weight of 1,2-Dierucoylphosphatidylcholine?
The molecular weight of 1,2-Dierucoylphosphatidylcholine is 898.73 g/mol.
Where can I buy 1,2-Dierucoylphosphatidylcholine?
You can request a quote for 1,2-Dierucoylphosphatidylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dierucoylphosphatidylcholine?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dierucoylphosphatidylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.