RefChem:898434
TL;DR: RefChem:898434 (CAS 68443-82-3) is a chemical compound with molecular formula C45H78O12S3Ti and molecular weight 954.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-dodecylbenzenesulfonic acid);2-(2-methylprop-2-enoyloxy)ethanesulfonic acid;propan-2-ol;titanium
Also Known As: Isopropyl di(dodecylbenzenesulfonyl) 2-methacrylethylsulfonyl titanate, Titanium, bis(dodecylbenzenesulfonato-kappaO)(2-propanolato)(2-(sulfo-kappaO)ethyl 2-methyl-2-propenoato)-, Bis(dodecylbenzenesulphonato-O)(propan-2-olato)(2-sulphoethyl methacrylato)titanium, Titanium, bis(dodecylbenzenesulfonato-.kappa.O)(2-propanolato)[2-(sulfo-.kappa.O)ethyl 2-methyl-2-propenoato]-, Titanium, bis(dodecylbenzenesulfonato-O)(2-propanolato)(2-sulfoethyl 2-methyl-2-propenoato)-
| Molecular Formula | C45H78O12S3Ti |
|---|---|
| Molecular Weight | 954.41 g/mol |
| LogP | 11.1715 |
| Topological Polar Surface Area | 235.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 29 |
| Exact Mass | 954.41345 |
| Heavy Atoms | 61 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 68443-82-3 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O.CC(C)O.CC(=C)C(=O)OCCS(=O)(=O)O.[Ti] |
| InChIKey | DNLOGQVDQNSCSM-UHFFFAOYSA-N |
Product Overview
RefChem:898434 (CAS 68443-82-3), with molecular formula C45H78O12S3Ti and molecular weight 954.41 g/mol. IUPAC: bis(3-dodecylbenzenesulfonic acid);2-(2-methylprop-2-enoyloxy)ethanesulfonic acid;propan-2-ol;titanium.
Chemical Property Profile of RefChem:898434
Property Insights of RefChem:898434
The XLogP value of 11.1715 indicates that RefChem:898434 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 235.0 Ų indicates high polarity, suggesting RefChem:898434 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:898434 has 4 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:898434?
The CAS number of RefChem:898434 is 68443-82-3.
What is the molecular formula of RefChem:898434?
The molecular formula of RefChem:898434 is C45H78O12S3Ti.
What is the molecular weight of RefChem:898434?
The molecular weight of RefChem:898434 is 954.41 g/mol.
Where can I buy RefChem:898434?
You can request a quote for RefChem:898434 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:898434?
Yes, KEHONG BIO provides custom synthesis services for RefChem:898434 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.