Crigee ozonide
TL;DR: Crigee ozonide (CAS 129194-27-0) is a chemical compound with molecular formula C42H82NO11P and molecular weight 807.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hexadecanoyloxy-2-[8-(5-octyl-1,2,4-trioxolan-3-yl)octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Crigee ozonide, PC-Criegee ozonide, Hexafluorooxepin, 1-Palmitoyl-2-(8-(5-octyl-1,2,4-trioxolan-3-yl)octanoyl)-sn-glycero-3-phosphocholine, [3-hexadecanoyloxy-2-[8-(5-octyl-1,2,4-trioxolan-3-yl)octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
| Molecular Formula | C42H82NO11P |
|---|---|
| Molecular Weight | 807.56 g/mol |
| LogP | 12.6 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 41 |
| Exact Mass | 807.56256 |
| Heavy Atoms | 55 |
| Complexity | 971.0 |
Chemical Identifiers
| CAS Number | 129194-27-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC1OC(OO1)CCCCCCCC |
| InChIKey | KYGUWEUFTRFTBP-UHFFFAOYSA-N |
Product Overview
Crigee ozonide (CAS 129194-27-0), with molecular formula C42H82NO11P and molecular weight 807.56 g/mol. IUPAC: [3-hexadecanoyloxy-2-[8-(5-octyl-1,2,4-trioxolan-3-yl)octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of Crigee ozonide
Property Insights of Crigee ozonide
The XLogP value of 12.6 indicates that Crigee ozonide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Crigee ozonide. Following Lipinski's Rule of Five, Crigee ozonide has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Crigee ozonide?
The CAS number of Crigee ozonide is 129194-27-0.
What is the molecular formula of Crigee ozonide?
The molecular formula of Crigee ozonide is C42H82NO11P.
What is the molecular weight of Crigee ozonide?
The molecular weight of Crigee ozonide is 807.56 g/mol.
Where can I buy Crigee ozonide?
You can request a quote for Crigee ozonide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crigee ozonide?
Yes, KEHONG BIO provides custom synthesis services for Crigee ozonide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.