RefChem:789113
TL;DR: RefChem:789113 (CAS 64157-14-8) is a chemical compound with molecular formula C100H194O18P2Ti and molecular weight 1793.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrakis(2,2-bis(prop-2-enoxymethyl)butan-1-olate);bis(ditridecyl phosphite);hydron;titanium(4+)
Also Known As: Tetra(2,2-diallyloxymethylene-1-butyl)bis(ditridecyl phosphite) titanate, 2,2-bis(prop-2-enoxymethyl)butan-1-olate;ditridecyl phosphite;hydron;titanium(4+), Tetra(2,2-diallyloxymethyl-1-butyl)bis(ditridecylphosphite)titanate, Tetra(2,2-diallyloxymethylene-1-butyl)titanate di(ditridecyl phosphite), 264-709-9
| Molecular Formula | C100H194O18P2Ti |
|---|---|
| Molecular Weight | 1793.32 g/mol |
| LogP | 23.27 |
| Topological Polar Surface Area | 249.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 98 |
| Exact Mass | 1794.3253 |
| Heavy Atoms | 121 |
| Complexity | 1700.0 |
Chemical Identifiers
| CAS Number | 64157-14-8 |
|---|---|
| SMILES | [H+].[H+].CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCC(C[O-])(COCC=C)COCC=C.CCC(C[O-])(COCC=C)COCC=C.CCC(C[O-])(COCC=C)COCC=C.CCC(C[O-])(COCC=C)COCC=C.[Ti+4] |
| InChIKey | WJPBTXHXCOCGAW-UHFFFAOYSA-P |
Product Overview
RefChem:789113 (CAS 64157-14-8), with molecular formula C100H194O18P2Ti and molecular weight 1793.32 g/mol. IUPAC: tetrakis(2,2-bis(prop-2-enoxymethyl)butan-1-olate);bis(ditridecyl phosphite);hydron;titanium(4+).
Chemical Property Profile of RefChem:789113
Property Insights of RefChem:789113
The XLogP value of 23.27 indicates that RefChem:789113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 249.0 Ų indicates high polarity, suggesting RefChem:789113 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:789113 has 2 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:789113?
The CAS number of RefChem:789113 is 64157-14-8.
What is the molecular formula of RefChem:789113?
The molecular formula of RefChem:789113 is C100H194O18P2Ti.
What is the molecular weight of RefChem:789113?
The molecular weight of RefChem:789113 is 1793.32 g/mol.
Where can I buy RefChem:789113?
You can request a quote for RefChem:789113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:789113?
Yes, KEHONG BIO provides custom synthesis services for RefChem:789113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.