RefChem:898333
TL;DR: RefChem:898333 (CAS 68460-22-0) is a chemical compound with molecular formula C16H18O6Ti and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethane-1,2-diol;bis(2-hydroxybenzaldehyde);titanium
Also Known As: Di(2-formylphenyl) ethylene titanate, (Ethane-1,2-diolato(2-)-O,O')bis(salicylaldehydato-O,O')titanium, Titanium, (1,2-ethanediolato(2-)-kappaO,kappaO')bis(2-(hydroxy-kappaO)benzaldehydato-kappaO)-, Titanium, (1,2-ethanediolato(2-)-kappaO1,kappaO2)bis(2-(hydroxy-kappaO)benzaldehydato-kappaO)-, Titanium, [1,2-ethanediolato(2-)-.kappa.O1,.kappa.O2]bis[2-(hydroxy-.kappa.O)benzaldehydato-.kappa.O]-
| Molecular Formula | C16H18O6Ti |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 1.38 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.0583 |
| Heavy Atoms | 23 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 68460-22-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=O)O.C1=CC=C(C(=C1)C=O)O.C(CO)O.[Ti] |
| InChIKey | OREBYGNJXFRCNY-UHFFFAOYSA-N |
Product Overview
RefChem:898333 (CAS 68460-22-0), with molecular formula C16H18O6Ti and molecular weight 354.06 g/mol. IUPAC: ethane-1,2-diol;bis(2-hydroxybenzaldehyde);titanium.
Chemical Property Profile of RefChem:898333
Property Insights of RefChem:898333
The XLogP value of 1.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:898333. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:898333. Following Lipinski's Rule of Five, RefChem:898333 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:898333?
The CAS number of RefChem:898333 is 68460-22-0.
What is the molecular formula of RefChem:898333?
The molecular formula of RefChem:898333 is C16H18O6Ti.
What is the molecular weight of RefChem:898333?
The molecular weight of RefChem:898333 is 354.06 g/mol.
Where can I buy RefChem:898333?
You can request a quote for RefChem:898333 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:898333?
Yes, KEHONG BIO provides custom synthesis services for RefChem:898333 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.