Titanocene bis(hydrogenmaleinate)
TL;DR: Titanocene bis(hydrogenmaleinate) (CAS 83525-76-2) is a chemical compound with molecular formula C18H16O8Ti and molecular weight 408.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioate);bis(cyclopenta-1,3-diene);hydron;titanium(4+)
Also Known As: TBHM, Titanocene bis(hydrogenmaleinate), Titanate(2-), bis(2-butenedioato(2-)-O)bis(eta5-2,4-cyclopentadien-1-yl)-, dihydrogen, stereoisomer, RefChem:190174
| Molecular Formula | C18H16O8Ti |
|---|---|
| Molecular Weight | 408.03 g/mol |
| LogP | -2.8817 |
| Topological Polar Surface Area | 160.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.03247 |
| Heavy Atoms | 27 |
| Complexity | 554.10846 |
Chemical Identifiers
| CAS Number | 83525-76-2 |
|---|---|
| SMILES | [H+].[H+].[CH-]1C=CC=C1.[CH-]1C=CC=C1.C(=C/C(=O)[O-])\C(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-].[Ti+4] |
Product Overview
Titanocene bis(hydrogenmaleinate) (CAS 83525-76-2), with molecular formula C18H16O8Ti and molecular weight 408.03 g/mol. IUPAC: bis((E)-but-2-enedioate);bis(cyclopenta-1,3-diene);hydron;titanium(4+).
Chemical Property Profile of Titanocene bis(hydrogenmaleinate)
Property Insights of Titanocene bis(hydrogenmaleinate)
The XLogP value of -2.8817 indicates that Titanocene bis(hydrogenmaleinate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 160.52 Ų indicates high polarity, suggesting Titanocene bis(hydrogenmaleinate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Titanocene bis(hydrogenmaleinate) has 0 hydrogen bond donor(s) and 8 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 Titanocene bis(hydrogenmaleinate)?
The CAS number of Titanocene bis(hydrogenmaleinate) is 83525-76-2.
What is the molecular formula of Titanocene bis(hydrogenmaleinate)?
The molecular formula of Titanocene bis(hydrogenmaleinate) is C18H16O8Ti.
What is the molecular weight of Titanocene bis(hydrogenmaleinate)?
The molecular weight of Titanocene bis(hydrogenmaleinate) is 408.03 g/mol.
Where can I buy Titanocene bis(hydrogenmaleinate)?
You can request a quote for Titanocene bis(hydrogenmaleinate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Titanocene bis(hydrogenmaleinate)?
Yes, KEHONG BIO provides custom synthesis services for Titanocene bis(hydrogenmaleinate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.