RefChem:898428
TL;DR: RefChem:898428 (CAS 68443-96-9) is a chemical compound with molecular formula C12H26O7S3Ti and molecular weight 426.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-ol;tris(3-sulfanylpropanoic acid);titanium
Also Known As: Isopropyl tri(3-mercaptopropionyl) titanate, Titanium, (3-mercaptopropanoato-kappaO)bis(3-(mercapto-kappaS)propanoato-kappaO)(2-propanolato)-, Titanium, bis(3-(mercapto-kappaS)propanoato-kappaO)(3-mercaptopropanoato-kappaO)(2-propanolato)-, (3-Mercaptopropionato-O)bis(3-mercaptopropionato-O,S)(propan-2-olato)titanium, Titanium, bis[3-(mercapto-.kappa.S)propanoato-.kappa.O](3-mercaptopropanoato-.kappa.O)(2-propanolato)-
| Molecular Formula | C12H26O7S3Ti |
|---|---|
| Molecular Weight | 426.03 g/mol |
| LogP | 1.56 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.032 |
| Heavy Atoms | 23 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 68443-96-9 |
|---|---|
| SMILES | CC(C)O.C(CS)C(=O)O.C(CS)C(=O)O.C(CS)C(=O)O.[Ti] |
| InChIKey | SPRPMVYJBQTHRZ-UHFFFAOYSA-N |
Product Overview
RefChem:898428 (CAS 68443-96-9), with molecular formula C12H26O7S3Ti and molecular weight 426.03 g/mol. IUPAC: propan-2-ol;tris(3-sulfanylpropanoic acid);titanium.
Chemical Property Profile of RefChem:898428
Property Insights of RefChem:898428
The XLogP value of 1.56 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:898428. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:898428. Following Lipinski's Rule of Five, RefChem:898428 has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:898428?
The CAS number of RefChem:898428 is 68443-96-9.
What is the molecular formula of RefChem:898428?
The molecular formula of RefChem:898428 is C12H26O7S3Ti.
What is the molecular weight of RefChem:898428?
The molecular weight of RefChem:898428 is 426.03 g/mol.
Where can I buy RefChem:898428?
You can request a quote for RefChem:898428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:898428?
Yes, KEHONG BIO provides custom synthesis services for RefChem:898428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.