Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III)
TL;DR: Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III) (CAS 99021-80-4) is a chemical compound with molecular formula C12H13Cl5FeNTi and molecular weight 449.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetonitrile;bis(cyclopenta-1,3-diene);iron(3+);titanium(4+);pentachloride
Also Known As: Bcancttf, Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III), iron(3+) titanium(4+) chloride cyclopenta-2,4-dienide- acetonitrile(1:1:5:2:1), acetonitrile; cyclopenta-1,3-diene; iron(3+); titanium(4+); pentachloride, Titanium(1+), (acetonitrile)chlorobis(eta5-2,4-cyclopentadien-1-yl)-, (T-4)-tetrachloroferrate(1-)
| Molecular Formula | C12H13Cl5FeNTi |
|---|---|
| Molecular Weight | 449.83 g/mol |
| LogP | -11.64412 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 449.83194 |
| Heavy Atoms | 20 |
| Complexity | 40.0 |
Chemical Identifiers
| CAS Number | 99021-80-4 |
|---|---|
| SMILES | CC#N.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].[Fe+3] |
| InChIKey | MBNYJYWMPIYGRU-UHFFFAOYSA-I |
Product Overview
Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III) (CAS 99021-80-4), with molecular formula C12H13Cl5FeNTi and molecular weight 449.83 g/mol. IUPAC: acetonitrile;bis(cyclopenta-1,3-diene);iron(3+);titanium(4+);pentachloride.
Chemical Property Profile of Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III)
Property Insights of Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III)
The XLogP value of -11.64412 indicates that Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 23.8 Ų, Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III) 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 Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III)?
The CAS number of Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III) is 99021-80-4.
What is the molecular formula of Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III)?
The molecular formula of Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III) is C12H13Cl5FeNTi.
What is the molecular weight of Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III)?
The molecular weight of Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III) is 449.83 g/mol.
Where can I buy Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III)?
You can request a quote for Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III)?
Yes, KEHONG BIO provides custom synthesis services for Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.