1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo-
TL;DR: 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo- (CAS 149057-51-2) is a chemical compound with molecular formula C15H15NO and molecular weight 225.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylbutan-2-yl)-3-oxoindene-2-carbonitrile
Also Known As: 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo-, 1-(2-methylbutan-2-yl)-3-oxoindene-2-carbonitrile, 3-(1,1-Dimethylpropyl)-1-oxo-1H-indene-2-carbonitrile, 3-(2-methylbutan-2-yl)-1-oxo-1h-indene-2-carbonitrile, 1H-Indene-2-carbonitrile,3-(1,1-dimethylpropyl)-1-oxo-
| Molecular Formula | C15H15NO |
|---|---|
| Molecular Weight | 225.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.11537 |
| Heavy Atoms | 17 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 149057-51-2 |
|---|---|
| SMILES | CCC(C)(C)C1=C(C(=O)C2=CC=CC=C21)C#N |
| InChIKey | WWXYVYUCPQOVAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo- (CAS 149057-51-2), with molecular formula C15H15NO and molecular weight 225.12 g/mol. IUPAC: 1-(2-methylbutan-2-yl)-3-oxoindene-2-carbonitrile.
Chemical Property Profile of 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo-
Property Insights of 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo-
The XLogP value of 3.6 indicates that 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo-?
The CAS number of 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo- is 149057-51-2.
What is the molecular formula of 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo-?
The molecular formula of 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo- is C15H15NO.
What is the molecular weight of 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo-?
The molecular weight of 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo- is 225.12 g/mol.
Where can I buy 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo-?
You can request a quote for 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.