RefChem:898435
TL;DR: RefChem:898435 (CAS 68460-17-3) is a chemical compound with molecular formula C57H104O9S2Ti and molecular weight 1044.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-dodecylbenzenesulfonic acid);16-methylheptadecanoic acid;propan-2-ol;titanium
Also Known As: EINECS 270-632-1, Isopropyl di(dodecylbenzenesulfonyl) isostearoyl titanate, Titanium, bis(dodecylbenzenesulfonato-kappaO)(isooctadecanoato-kappaO)(2-propanolato)-, Bis(dodecylbenzenesulphonato-O)(isooctadecanoato-O)(propan-2-olato)titanium, Titanium, bis(dodecylbenzenesulfonato-.kappa.O)(isooctadecanoato-.kappa.O)(2-propanolato)-
| Molecular Formula | C57H104O9S2Ti |
|---|---|
| Molecular Weight | 1044.66 g/mol |
| LogP | 17.3664 |
| Topological Polar Surface Area | 166.27 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 39 |
| Exact Mass | 1044.6602 |
| Heavy Atoms | 69 |
| Complexity | 1550.7189 |
Chemical Identifiers
| CAS Number | 68460-17-3 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)O.[Ti] |
Product Overview
RefChem:898435 (CAS 68460-17-3), with molecular formula C57H104O9S2Ti and molecular weight 1044.66 g/mol. IUPAC: bis(3-dodecylbenzenesulfonic acid);16-methylheptadecanoic acid;propan-2-ol;titanium.
Chemical Property Profile of RefChem:898435
Property Insights of RefChem:898435
The XLogP value of 17.3664 indicates that RefChem:898435 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.27 Ų indicates high polarity, suggesting RefChem:898435 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:898435 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:898435?
The CAS number of RefChem:898435 is 68460-17-3.
What is the molecular formula of RefChem:898435?
The molecular formula of RefChem:898435 is C57H104O9S2Ti.
What is the molecular weight of RefChem:898435?
The molecular weight of RefChem:898435 is 1044.66 g/mol.
Where can I buy RefChem:898435?
You can request a quote for RefChem:898435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:898435?
Yes, KEHONG BIO provides custom synthesis services for RefChem:898435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.