RefChem:898433
TL;DR: RefChem:898433 (CAS 68443-81-2) is a chemical compound with molecular formula C42H77NO10S3Ti and molecular weight 899.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-dodecylbenzenesulfonic acid);2-(methylamino)ethanesulfonic acid;propan-2-ol;titanium
Also Known As: Isopropyl di(dodecylbenzenesulfonyl) 2-methylaminoethylsulfonyl titanate, Titanium, bis(dodecylbenzenesulfonato-kappaO)(2-(methylamino)ethanesulfonato-kappaO)(2-propanolato)-, Titanium, bis(dodecylbenzenesulfonato-.kappa.O)[2-(methylamino)ethanesulfonato-.kappa.O](2-propanolato)-, Bis(dodecylbenzenesulphonato-O)(2-(methylamino)ethanesulphonato-O)(propan-2-olato)titanium, Bis(dodecylbenzenesulphonato-O)[2-(methylamino)ethanesulphonato-O](propan-2-olato)titanium
| Molecular Formula | C42H77NO10S3Ti |
|---|---|
| Molecular Weight | 899.42 g/mol |
| LogP | 10.2716 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 27 |
| Exact Mass | 899.4189 |
| Heavy Atoms | 57 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 68443-81-2 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O.CC(C)O.CNCCS(=O)(=O)O.[Ti] |
| InChIKey | XZFITNBYJIGRJS-UHFFFAOYSA-N |
Product Overview
RefChem:898433 (CAS 68443-81-2), with molecular formula C42H77NO10S3Ti and molecular weight 899.42 g/mol. IUPAC: bis(3-dodecylbenzenesulfonic acid);2-(methylamino)ethanesulfonic acid;propan-2-ol;titanium.
Chemical Property Profile of RefChem:898433
Property Insights of RefChem:898433
The XLogP value of 10.2716 indicates that RefChem:898433 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting RefChem:898433 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:898433 has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:898433?
The CAS number of RefChem:898433 is 68443-81-2.
What is the molecular formula of RefChem:898433?
The molecular formula of RefChem:898433 is C42H77NO10S3Ti.
What is the molecular weight of RefChem:898433?
The molecular weight of RefChem:898433 is 899.42 g/mol.
Where can I buy RefChem:898433?
You can request a quote for RefChem:898433 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:898433?
Yes, KEHONG BIO provides custom synthesis services for RefChem:898433 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.