Crabtree 催化剂
TL;DR: Crabtree 催化剂 (CAS 64536-78-3) is a chemical compound with molecular formula C31H50F6IrNP2- and molecular weight 805.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Crabtree 催化剂
cycloocta-1,5-diene;iridium;pyridine;tricyclohexylphosphane;hexafluorophosphate
Also Known As: Crabtree's catalyst, 2-Fluoro-3-(trifluoromethyl)anisole, 1,5-CYCLOOCTADIENE(PYRIDINE)(TRICYCLOHEXYLPHOSPHINE)IRIDIUM(I) HEXAFLUOROPHOSPHATE, (1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)-iridium(I) hexafluorophosphate, cycloocta-1,5-diene; iridium; pyridine; tricyclohexylphosphane; hexafluorophosphate
| Molecular Formula | C31H50F6IrNP2- |
|---|---|
| Molecular Weight | 805.30 g/mol |
| LogP | 13.6007 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 805.29517 |
| Heavy Atoms | 41 |
| Complexity | 726.51324 |
Chemical Identifiers
| CAS Number | 64536-78-3 |
|---|---|
| SMILES | C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CC=CCCC=C1.C1=CC=NC=C1.F[P-](F)(F)(F)(F)F.[Ir] |
Product Overview
Crabtree 催化剂 (CAS 64536-78-3), with molecular formula C31H50F6IrNP2- and molecular weight 805.30 g/mol. IUPAC: cycloocta-1,5-diene;iridium;pyridine;tricyclohexylphosphane;hexafluorophosphate.
Chemical Property Profile of Crabtree 催化剂
Property Insights of Crabtree 催化剂
The XLogP value of 13.6007 indicates that Crabtree 催化剂 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, Crabtree 催化剂 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crabtree 催化剂 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Crabtree 催化剂?
The CAS number of Crabtree 催化剂 is 64536-78-3.
What is the molecular formula of Crabtree 催化剂?
The molecular formula of Crabtree 催化剂 is C31H50F6IrNP2-.
What is the molecular weight of Crabtree 催化剂?
The molecular weight of Crabtree 催化剂 is 805.30 g/mol.
Where can I buy Crabtree 催化剂?
You can request a quote for Crabtree 催化剂 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crabtree 催化剂?
Yes, KEHONG BIO provides custom synthesis services for Crabtree 催化剂 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.