di-C8-PI
TL;DR: di-C8-PI (CAS 105172-95-0) is a chemical compound with molecular formula C25H47O13P and molecular weight 586.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate
Also Known As: di-C8-PI, PtdIns-(1,2-dioctanoyl), 1,2-Dioctanoyl-sn-glycero-3-phosphoinositol, 1-(1,2-Dioctanoylphosphatidyl)inositol, PtdIns-(1,2-dioctanoyl) (sodium salt)
| Molecular Formula | C25H47O13P |
|---|---|
| Molecular Weight | 586.28 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 22 |
| Exact Mass | 586.27545 |
| Heavy Atoms | 39 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 105172-95-0 |
|---|---|
| SMILES | CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC |
| InChIKey | UPUKKDCTWWVPCJ-NUPIXEBLSA-N |
Product Overview
di-C8-PI (CAS 105172-95-0), with molecular formula C25H47O13P and molecular weight 586.28 g/mol. IUPAC: [(2R)-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate.
Chemical Property Profile of di-C8-PI
Property Insights of di-C8-PI
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for di-C8-PI. The TPSA of 210.0 Ų indicates high polarity, suggesting di-C8-PI may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, di-C8-PI has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of di-C8-PI?
The CAS number of di-C8-PI is 105172-95-0.
What is the molecular formula of di-C8-PI?
The molecular formula of di-C8-PI is C25H47O13P.
What is the molecular weight of di-C8-PI?
The molecular weight of di-C8-PI is 586.28 g/mol.
Where can I buy di-C8-PI?
You can request a quote for di-C8-PI directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for di-C8-PI?
Yes, KEHONG BIO provides custom synthesis services for di-C8-PI and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.