RefChem:898264
TL;DR: RefChem:898264 (CAS 68443-97-0) is a chemical compound with molecular formula C9H28O22P6Ti and molecular weight 721.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(dimethoxyphosphoryl phosphate);hydron;propan-2-olate;titanium(4+)
Also Known As: Isopropyl tri(dimethylpyrophosphato) titanate, Titanate(3-), (P,P-dimethyl diphosphato(2-)-kappaO'')bis(P,P-dimethyl diphosphato(2-)-kappaO'',kappaO'''')(2-propanolato)-, hydrogen (1:3), Titanate(3-), (P,P-dimethyl diphosphato(2-)-kappaO'')bis(P,P-dimethyl diphosphato(2-)-kappaO'',kappaO'''')(2-propanolato)-, trihydrogen, dimethoxyphosphoryl phosphate; hydron; propan-2-olate; titanium(4+), Titanate(3-), [P,P-dimethyl diphosphato(2-)-.kappa.O'']bis[P,P-dimethyl diphosphato(2-)-.kappa.O'',.kappa.O''''](2-propanolato)-, hydrogen (1:3)
| Molecular Formula | C9H28O22P6Ti |
|---|---|
| Molecular Weight | 721.90 g/mol |
| LogP | -2.2121 |
| Topological Polar Surface Area | 347.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 9 |
| Exact Mass | 721.8977 |
| Heavy Atoms | 38 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 68443-97-0 |
|---|---|
| SMILES | [H+].[H+].[H+].CC(C)[O-].COP(=O)(OC)OP(=O)([O-])[O-].COP(=O)(OC)OP(=O)([O-])[O-].COP(=O)(OC)OP(=O)([O-])[O-].[Ti+4] |
| InChIKey | JHWWBRWQJUJONW-UHFFFAOYSA-K |
Product Overview
RefChem:898264 (CAS 68443-97-0), with molecular formula C9H28O22P6Ti and molecular weight 721.90 g/mol. IUPAC: tris(dimethoxyphosphoryl phosphate);hydron;propan-2-olate;titanium(4+).
Chemical Property Profile of RefChem:898264
Property Insights of RefChem:898264
The XLogP value of -2.2121 indicates that RefChem:898264 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 347.0 Ų indicates high polarity, suggesting RefChem:898264 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:898264 has 3 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:898264?
The CAS number of RefChem:898264 is 68443-97-0.
What is the molecular formula of RefChem:898264?
The molecular formula of RefChem:898264 is C9H28O22P6Ti.
What is the molecular weight of RefChem:898264?
The molecular weight of RefChem:898264 is 721.90 g/mol.
Where can I buy RefChem:898264?
You can request a quote for RefChem:898264 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:898264?
Yes, KEHONG BIO provides custom synthesis services for RefChem:898264 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.