RefChem:898447
TL;DR: RefChem:898447 (CAS 68443-76-5) is a chemical compound with molecular formula C54H96O6Ti and molecular weight 888.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(16-methylheptadecanoic acid);4-(2-phenylpropan-2-yl)phenol;propan-2-ol;titanium
Also Known As: Titanium, bis(isooctadecanoato-kappaO)(4-(1-methyl-1-phenylethyl)phenolato)(2-propanolato)-, Bis(isooctadecanoato-O)(4-(1-methyl-1-phenylethyl)phenolato)(propan-2-olato)titanium, Titanium, bis(isooctadecanoato-.kappa.O)[4-(1-methyl-1-phenylethyl)phenolato](2-propanolato)-, EINECS 270-551-1, RefChem:898447
| Molecular Formula | C54H96O6Ti |
|---|---|
| Molecular Weight | 888.67 g/mol |
| LogP | 16.4795 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 32 |
| Exact Mass | 888.66864 |
| Heavy Atoms | 61 |
| Complexity | 861.0 |
Chemical Identifiers
| CAS Number | 68443-76-5 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)O.CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O.[Ti] |
| InChIKey | WBDFEBWLPSASJI-UHFFFAOYSA-N |
Product Overview
RefChem:898447 (CAS 68443-76-5), with molecular formula C54H96O6Ti and molecular weight 888.67 g/mol. IUPAC: bis(16-methylheptadecanoic acid);4-(2-phenylpropan-2-yl)phenol;propan-2-ol;titanium.
Chemical Property Profile of RefChem:898447
Property Insights of RefChem:898447
The XLogP value of 16.4795 indicates that RefChem:898447 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:898447. Following Lipinski's Rule of Five, RefChem:898447 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:898447?
The CAS number of RefChem:898447 is 68443-76-5.
What is the molecular formula of RefChem:898447?
The molecular formula of RefChem:898447 is C54H96O6Ti.
What is the molecular weight of RefChem:898447?
The molecular weight of RefChem:898447 is 888.67 g/mol.
Where can I buy RefChem:898447?
You can request a quote for RefChem:898447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:898447?
Yes, KEHONG BIO provides custom synthesis services for RefChem:898447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.