Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo-
TL;DR: Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo- (CAS 68161-23-9) is a chemical compound with molecular formula C26H21ClN2O and molecular weight 412.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-1-(4-chlorophenyl)-4-oxospiro[azetidine-2,9'-fluorene]-3-carbonitrile
Also Known As: Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo-, 3-tert-butyl-1-(4-chlorophenyl)-4-oxospiro[azetidine-2,9'-fl, 3-tert-butyl-1-(4-chlorophenyl)-4-oxo-spiro[azetidine-2,9'-fluorene]-3-carbonitrile, 3-tert-butyl-1-(4-chlorophenyl)-4-oxospiro[azetidine-2,9'-fluorene]-3-carbonitrile, Spiro[azetidine-2,9'-[9H]fluorene]-3-carbonitrile, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo-
| Molecular Formula | C26H21ClN2O |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.13425 |
| Heavy Atoms | 30 |
| Complexity | 733.0 |
Chemical Identifiers
| CAS Number | 68161-23-9 |
|---|---|
| SMILES | CC(C)(C)C1(C(=O)N(C12C3=CC=CC=C3C4=CC=CC=C24)C5=CC=C(C=C5)Cl)C#N |
| InChIKey | KETOOGQDPNKANE-UHFFFAOYSA-N |
Product Overview
Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo- (CAS 68161-23-9), with molecular formula C26H21ClN2O and molecular weight 412.13 g/mol. IUPAC: 3-tert-butyl-1-(4-chlorophenyl)-4-oxospiro[azetidine-2,9'-fluorene]-3-carbonitrile.
Chemical Property Profile of Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo-
Property Insights of Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo-
The XLogP value of 5.9 indicates that Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo- has 0 hydrogen bond donor(s) and 2 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-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo-?
The CAS number of Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo- is 68161-23-9.
What is the molecular formula of Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo-?
The molecular formula of Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo- is C26H21ClN2O.
What is the molecular weight of Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo-?
The molecular weight of Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo- is 412.13 g/mol.
Where can I buy Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo-?
You can request a quote for Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1-(4-chlorophenyl)-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-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-4-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.