Brain PI(4,5)P2
TL;DR: Brain PI(4,5)P2 (CAS 245126-95-8) is a chemical compound with molecular formula C47H85O19P3 and molecular weight 1046.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-1-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Also Known As: Brain PI(4,5)P2, PIP2, Phosphatidylinositol 4,5-bisphosphate, L-alpha-Phosphatidylinositol-4,5-bisphosphate, Phosphatidylinositol-4,5-bisphosphate
| Molecular Formula | C47H85O19P3 |
|---|---|
| Molecular Weight | 1046.49 g/mol |
| LogP | 9.4029 |
| Topological Polar Surface Area | 302.57 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 42 |
| Exact Mass | 1046.4897 |
| Heavy Atoms | 69 |
| Complexity | 1628.6223 |
Chemical Identifiers
| CAS Number | 245126-95-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
Product Overview
Brain PI(4,5)P2 (CAS 245126-95-8), with molecular formula C47H85O19P3 and molecular weight 1046.49 g/mol. IUPAC: [(2R)-1-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate.
Chemical Property Profile of Brain PI(4,5)P2
Property Insights of Brain PI(4,5)P2
The XLogP value of 9.4029 indicates that Brain PI(4,5)P2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 302.57 Ų indicates high polarity, suggesting Brain PI(4,5)P2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brain PI(4,5)P2 has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Brain PI(4,5)P2?
The CAS number of Brain PI(4,5)P2 is 245126-95-8.
What is the molecular formula of Brain PI(4,5)P2?
The molecular formula of Brain PI(4,5)P2 is C47H85O19P3.
What is the molecular weight of Brain PI(4,5)P2?
The molecular weight of Brain PI(4,5)P2 is 1046.49 g/mol.
Where can I buy Brain PI(4,5)P2?
You can request a quote for Brain PI(4,5)P2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brain PI(4,5)P2?
Yes, KEHONG BIO provides custom synthesis services for Brain PI(4,5)P2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.