Jacobsen's catalyst
TL;DR: Jacobsen's catalyst (CAS 138124-32-0) is a chemical compound with molecular formula C36H52ClMnN2O2 and molecular weight 634.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;manganese(3+);chloride
Also Known As: Jacobsen's catalyst, (S,S)-Jacobsen's catalyst, (R,R)-Jacobsen's catalyst, tert-butylphenolate) chloride, Jacobsen's catalyst (R,R)-form [MI]
| Molecular Formula | C36H52ClMnN2O2 |
|---|---|
| Molecular Weight | 634.31 g/mol |
| LogP | 4.8745 |
| Topological Polar Surface Area | 70.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 634.30975 |
| Heavy Atoms | 42 |
| Complexity | 1172.2499 |
Chemical Identifiers
| CAS Number | 138124-32-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C=NC2CCCCC2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)[O-].[Cl-].[Mn+3] |
Product Overview
Jacobsen's catalyst (CAS 138124-32-0), with molecular formula C36H52ClMnN2O2 and molecular weight 634.31 g/mol. IUPAC: 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;manganese(3+);chloride.
Chemical Property Profile of Jacobsen's catalyst
Property Insights of Jacobsen's catalyst
The XLogP value of 4.8745 indicates that Jacobsen's catalyst is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Jacobsen's catalyst. Following Lipinski's Rule of Five, Jacobsen's catalyst 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 Jacobsen's catalyst?
The CAS number of Jacobsen's catalyst is 138124-32-0.
What is the molecular formula of Jacobsen's catalyst?
The molecular formula of Jacobsen's catalyst is C36H52ClMnN2O2.
What is the molecular weight of Jacobsen's catalyst?
The molecular weight of Jacobsen's catalyst is 634.31 g/mol.
Where can I buy Jacobsen's catalyst?
You can request a quote for Jacobsen's catalyst directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Jacobsen's catalyst?
Yes, KEHONG BIO provides custom synthesis services for Jacobsen's catalyst and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.