(Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium
TL;DR: (Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium (CAS 58689-69-3) is a chemical compound with molecular formula C24H14Cl2Zr-10 and molecular weight 461.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(cyclopenta-2,4-dien-1-ylmethylbenzene);dichlorozirconium
Also Known As: (Dichloro)bis(.eta.(sup5)-benzylcyclopentadienyl)zirconium, Zirconium,2,3,4,5-.eta.)-1-(phenylmethyl)-2,4-cyclopentadien-1-yl]-
| Molecular Formula | C24H14Cl2Zr-10 |
|---|---|
| Molecular Weight | 461.95 g/mol |
| LogP | 5.77062 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.95197 |
| Heavy Atoms | 27 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 58689-69-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C-]2[C-]=[C-][C-]=[C-]2.C1=CC=C(C=C1)C[C-]2[C-]=[C-][C-]=[C-]2.Cl[Zr]Cl |
| InChIKey | YCNADMBSDJNKTQ-UHFFFAOYSA-L |
Product Overview
(Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium (CAS 58689-69-3), with molecular formula C24H14Cl2Zr-10 and molecular weight 461.95 g/mol. IUPAC: bis(cyclopenta-2,4-dien-1-ylmethylbenzene);dichlorozirconium.
Chemical Property Profile of (Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium
Property Insights of (Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium
The XLogP value of 5.77062 indicates that (Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium has 0 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 (Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium?
The CAS number of (Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium is 58689-69-3.
What is the molecular formula of (Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium?
The molecular formula of (Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium is C24H14Cl2Zr-10.
What is the molecular weight of (Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium?
The molecular weight of (Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium is 461.95 g/mol.
Where can I buy (Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium?
You can request a quote for (Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium?
Yes, KEHONG BIO provides custom synthesis services for (Dichloro)bis(eta(sup5)-benzylcyclopentadienyl)zirconium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.