RefChem:898362
TL;DR: RefChem:898362 (CAS 68443-78-7) is a chemical compound with molecular formula C42H86O7Ti and molecular weight 750.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(16-methylheptadecanoic acid);titanium
Also Known As: dodecyl benzenesulfonate- piperidine(1:1), Titanium, (2-ethyl-2-(hydroxymethyl)-1,3-propanediolato(2-)-kappaO,kappaO')bis(isooctadecanoato-kappaO)-, Titanium, (2-ethyl-2-(hydroxymethyl)-1,3-propanediolato(2-)-kappaO1,kappaO3)bis(isooctadecanoato-kappaO)-, (2-Ethyl-2-(hydroxymethyl)propane-1,3-diolato(2-)-O,O')bis(isooctadecanoato-O)titanium, Titanium, [2-ethyl-2-(hydroxymethyl)-1,3-propanediolato(2-)-.kappa.O1,.kappa.O3]bis(isooctadecanoato-.kappa.O)-
| Molecular Formula | C42H86O7Ti |
|---|---|
| Molecular Weight | 750.59 g/mol |
| LogP | 11.73 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 32 |
| Exact Mass | 750.58527 |
| Heavy Atoms | 50 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 68443-78-7 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.[Ti] |
| InChIKey | SMXOIYSCCCHDJJ-UHFFFAOYSA-N |
Product Overview
RefChem:898362 (CAS 68443-78-7), with molecular formula C42H86O7Ti and molecular weight 750.59 g/mol. IUPAC: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(16-methylheptadecanoic acid);titanium.
Chemical Property Profile of RefChem:898362
Property Insights of RefChem:898362
The XLogP value of 11.73 indicates that RefChem:898362 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:898362. Following Lipinski's Rule of Five, RefChem:898362 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:898362?
The CAS number of RefChem:898362 is 68443-78-7.
What is the molecular formula of RefChem:898362?
The molecular formula of RefChem:898362 is C42H86O7Ti.
What is the molecular weight of RefChem:898362?
The molecular weight of RefChem:898362 is 750.59 g/mol.
Where can I buy RefChem:898362?
You can request a quote for RefChem:898362 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:898362?
Yes, KEHONG BIO provides custom synthesis services for RefChem:898362 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.