RefChem:898407
TL;DR: RefChem:898407 (CAS 68443-46-9) is a chemical compound with molecular formula C48H84O12Ti and molecular weight 900.54 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);titanium(4+)
Also Known As: 2,2-bis(prop-2-enoxymethyl)butan-1-olate;titanium(4+), Titanium, bis(2,2-bis((2-propenyloxy)methyl)-1-butanolato-kappaO)bis(2-((2-propenyloxy-kappaO)methyl)-2-((2-propenyloxy)methyl)-1-butanolato-kappaO)-, 2,2-bis(prop-2-enoxymethyl)butan-1-olate; titanium(4+), Titanium, bis[2,2-bis[(2-propenyloxy)methyl]-1-butanolato-.kappa.O]bis[2-[(2-propenyloxy-.kappa.O)methyl]-2-[(2-propenyloxy)methyl]-1-butanolato-.kappa.O]-, Bis[2,2-bis[(allyloxy)methyl]butan-1-olato-O1]bis[2,2-bis[(allyloxy)methyl]butan-1-olato-O1,O2]titanium
| Molecular Formula | C48H84O12Ti |
|---|---|
| Molecular Weight | 900.54 g/mol |
| LogP | 4.5907 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 40 |
| Exact Mass | 900.5442 |
| Heavy Atoms | 61 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 68443-46-9 |
|---|---|
| SMILES | 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 | DFESRENJADTWAF-UHFFFAOYSA-N |
Product Overview
RefChem:898407 (CAS 68443-46-9), with molecular formula C48H84O12Ti and molecular weight 900.54 g/mol. IUPAC: tetrakis(2,2-bis(prop-2-enoxymethyl)butan-1-olate);titanium(4+).
Chemical Property Profile of RefChem:898407
Property Insights of RefChem:898407
The XLogP value of 4.5907 indicates that RefChem:898407 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting RefChem:898407 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:898407 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:898407?
The CAS number of RefChem:898407 is 68443-46-9.
What is the molecular formula of RefChem:898407?
The molecular formula of RefChem:898407 is C48H84O12Ti.
What is the molecular weight of RefChem:898407?
The molecular weight of RefChem:898407 is 900.54 g/mol.
Where can I buy RefChem:898407?
You can request a quote for RefChem:898407 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:898407?
Yes, KEHONG BIO provides custom synthesis services for RefChem:898407 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.