Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo-
TL;DR: Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo- (CAS 68161-26-2) is a chemical compound with molecular formula C46H38N4O2 and molecular weight 678.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-1-[4-(3-tert-butyl-3-cyano-4-oxospiro[azetidine-2,9'-fluorene]-1-yl)phenyl]-4-oxospiro[azetidine-2,9'-fluorene]-3-carbonitrile
Also Known As: Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo-, 3-tert-butyl-1-[4-(3-tert-butyl-3-cyano-4-oxospiro[azetidine, 1,1''-(1,4-Phenylene)bis(3-tert-butyl-4-oxospiro[azetidine-2,9'-fluorene]-3-carbonitrile), 1,1'-(1,4-Phenylene)bis(3-tert-butyl-4-oxospiro[azetidine-2,9'-fluorene]-3-carbonitrile), 3-tert-butyl-1-[4-(3-tert-butyl-3-cyano-4-oxo-spiro[azetidine-2,9'-fluorene]-1-yl)phenyl]-4-oxo-spiro[azetidine-2,9'-fluorene]-3-carbonitrile
| Molecular Formula | C46H38N4O2 |
|---|---|
| Molecular Weight | 678.30 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 678.2995 |
| Heavy Atoms | 52 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 68161-26-2 |
|---|---|
| SMILES | CC(C)(C)C1(C(=O)N(C12C3=CC=CC=C3C4=CC=CC=C24)C5=CC=C(C=C5)N6C(=O)C(C67C8=CC=CC=C8C9=CC=CC=C79)(C#N)C(C)(C)C)C#N |
| InChIKey | CKGQAJDWWVYXRF-UHFFFAOYSA-N |
Product Overview
Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo- (CAS 68161-26-2), with molecular formula C46H38N4O2 and molecular weight 678.30 g/mol. IUPAC: 3-tert-butyl-1-[4-(3-tert-butyl-3-cyano-4-oxospiro[azetidine-2,9'-fluorene]-1-yl)phenyl]-4-oxospiro[azetidine-2,9'-fluorene]-3-carbonitrile.
Chemical Property Profile of Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo-
Property Insights of Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo-
The XLogP value of 8.6 indicates that Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo-. Following Lipinski's Rule of Five, Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo- 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 Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo-?
The CAS number of Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo- is 68161-26-2.
What is the molecular formula of Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo-?
The molecular formula of Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo- is C46H38N4O2.
What is the molecular weight of Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo-?
The molecular weight of Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo- is 678.30 g/mol.
Where can I buy Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo-?
You can request a quote for Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.