1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine
TL;DR: 1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine (CAS 148057-01-6) is a chemical compound with molecular formula C56H96NO12P and molecular weight 1005.667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R)-2,3-bis[8-(6-decoxyhexa-2,4-diynoxy)octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: 1,2-Bis(diodyn)-PC, 1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine, [(2R)-2,3-bis[8-(6-decoxyhexa-2,4-diynoxy)octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate, (2R)-2,3-Bis[(8-{[6-(decyloxy)hexa-2,4-diyn-1-yl]oxy}octanoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
Technical Specifications
| Molecular Formula | C56H96NO12P |
| Molecular Weight | 1005.667 g/mol |
| XLogP | 12.3 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 52 |
| Exact Mass | 1005.667 Da |
| Heavy Atoms | 70 |
| Complexity | 1600.0 |
| SMILES | CCCCCCCCCCOCC#CC#CCOCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCOCC#CC#CCOCCCCCCCCCC |
| InChIKey | REWKJMLMLZAYSK-AXAMJWTMSA-N |
Chemical Property Profile of 1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine
Property Insights of 1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine
The XLogP value of 12.3 indicates that 1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting 1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine?
The CAS number of 1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine is 148057-01-6.
What is the molecular formula of 1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine?
The molecular formula of 1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine is C56H96NO12P.
What is the molecular weight of 1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine?
The molecular weight of 1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine is 1005.667 g/mol.
Where can I buy 1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine?
You can request a quote for 1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine?
Yes, CoreyChem provides custom synthesis services for 1,2-Bis(9,16-dioxahexacosa-11,13-diynoyl)-sn-3-phosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.