Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron
TL;DR: Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron (CAS 93083-39-7) is a chemical compound with molecular formula C12H12Cl5FeNTi-2 and molecular weight 448.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetonitrile;chlorotitanium(1+);bis(cyclopenta-1,3-diene);tetrachloroiron
Also Known As: ClTitanocene CH3CN, chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron, Bis(cyclopentadienyl)acetonitrilechlorotitanium (IV) tetrachloroferrate (III), Chloro-bis(.beta.^5-2,4-cyclopentadiene-1-yl)titaniumacetonitrile tetrachlorofenate, Titanium(1+), (acetonitrile)chlorobis(h5-2,4-cyclopentadien-1-yl)-, (T-4)-tetrachloroferrate(1-)
| Molecular Formula | C12H12Cl5FeNTi-2 |
|---|---|
| Molecular Weight | 448.82 g/mol |
| LogP | 6.59757 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 448.82413 |
| Heavy Atoms | 20 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 93083-39-7 |
|---|---|
| SMILES | [CH2-]C#N.[CH-]1C=CC=C1.[CH-]1C=CC=C1.Cl[Ti+].Cl[Fe](Cl)(Cl)Cl |
| InChIKey | LPGUKFWDZTXAIL-UHFFFAOYSA-I |
Product Overview
Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron (CAS 93083-39-7), with molecular formula C12H12Cl5FeNTi-2 and molecular weight 448.82 g/mol. IUPAC: acetonitrile;chlorotitanium(1+);bis(cyclopenta-1,3-diene);tetrachloroiron.
Chemical Property Profile of Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron
Property Insights of Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron
The XLogP value of 6.59757 indicates that Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron?
The CAS number of Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron is 93083-39-7.
What is the molecular formula of Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron?
The molecular formula of Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron is C12H12Cl5FeNTi-2.
What is the molecular weight of Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron?
The molecular weight of Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron is 448.82 g/mol.
Where can I buy Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron?
You can request a quote for Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron?
Yes, KEHONG BIO provides custom synthesis services for Chloro-(cyanomethyl)-di(cyclopenta-2,4-dien-1-yl)titanium; tetrachloroiron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.