RefChem:898248
TL;DR: RefChem:898248 (CAS 66669-44-1) is a chemical compound with molecular formula C12H30O16P4Ti and molecular weight 601.9964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[butoxy(methoxy)phosphoryl] phosphate;ethane-1,2-diolate;hydron;titanium(4+)
Also Known As: Di(butylmethylpyrophosphato) ethylene titanate, Titanate(2-), bis(P-butyl P-methyl diphosphato(2-)-kappaO'',kappaO'''')(1,2-ethanediolato(2-)-kappaO,kappaO')-, dihydrogen, Titanate(2-), bis(P-butyl P-methyl diphosphato(2-)-kappaO'',kappaO'''')(1,2-ethanediolato(2-)-kappaO1,kappaO2)-, hydrogen (1:2), titanium(4+) hydrogen({[butoxy(methoxy)phosphoryl]oxy}phosphinato)dioxidanide ethane-1,2-diolate(1:2:2:1), [butoxy(methoxy)phosphoryl] phosphate; ethane-1,2-diolate; hydron; titanium(4+)
Technical Specifications
| Molecular Formula | C12H30O16P4Ti |
| Molecular Weight | 601.9964 g/mol |
| XLogP | -1.26 |
| Topological Polar Surface Area (TPSA) | 262.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 13 |
| Exact Mass | 601.9964 Da |
| Heavy Atoms | 33 |
| Complexity | 241.0 |
| SMILES | [H+].[H+].CCCCOP(=O)(OC)OP(=O)([O-])[O-].CCCCOP(=O)(OC)OP(=O)([O-])[O-].C(C[O-])[O-].[Ti+4] |
| InChIKey | GUIYQMUJNFJGAD-UHFFFAOYSA-L |
Chemical Property Profile of RefChem:898248
Property Insights of RefChem:898248
The XLogP value of -1.26 indicates that RefChem:898248 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 262.0 Ų indicates high polarity, suggesting RefChem:898248 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:898248 has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:898248?
The CAS number of RefChem:898248 is 66669-44-1.
What is the molecular formula of RefChem:898248?
The molecular formula of RefChem:898248 is C12H30O16P4Ti.
What is the molecular weight of RefChem:898248?
The molecular weight of RefChem:898248 is 601.9964 g/mol.
Where can I buy RefChem:898248?
You can request a quote for RefChem:898248 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:898248?
Yes, CoreyChem provides custom synthesis services for RefChem:898248 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.