1H-Indene-2-carbonitrile, 3-(1,1-dimethylethyl)-1-oxo-
TL;DR: 1H-Indene-2-carbonitrile, 3-(1,1-dimethylethyl)-1-oxo- (CAS 92199-14-9) is a chemical compound with molecular formula C14H13NO and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-oxoindene-2-carbonitrile
Also Known As: 1-tert-butyl-3-oxoindene-2-carbonitrile, 1-t-Butyl-3-oxoindene-2-carbonitrile, Indene-2-carbonitrile, 1-tert-butyl-3-oxo-, 1H-Indene-2-carbonitrile, 3-(1,1-dimethylethyl)-1-oxo-, 3-tert-butyl-1-oxo-1H-indene-2-carbonitrile
| Molecular Formula | C14H13NO |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.09972 |
| Heavy Atoms | 16 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 92199-14-9 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=O)C2=CC=CC=C21)C#N |
| InChIKey | RHYDJOLYRXMZIP-UHFFFAOYSA-N |
Product Overview
1H-Indene-2-carbonitrile, 3-(1,1-dimethylethyl)-1-oxo- (CAS 92199-14-9), with molecular formula C14H13NO and molecular weight 211.10 g/mol. IUPAC: 1-tert-butyl-3-oxoindene-2-carbonitrile.
Chemical Property Profile of 1H-Indene-2-carbonitrile, 3-(1,1-dimethylethyl)-1-oxo-
Property Insights of 1H-Indene-2-carbonitrile, 3-(1,1-dimethylethyl)-1-oxo-
The XLogP value of 3.1 indicates that 1H-Indene-2-carbonitrile, 3-(1,1-dimethylethyl)-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-dimethylethyl)-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-dimethylethyl)-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-dimethylethyl)-1-oxo-?
The CAS number of 1H-Indene-2-carbonitrile, 3-(1,1-dimethylethyl)-1-oxo- is 92199-14-9.
What is the molecular formula of 1H-Indene-2-carbonitrile, 3-(1,1-dimethylethyl)-1-oxo-?
The molecular formula of 1H-Indene-2-carbonitrile, 3-(1,1-dimethylethyl)-1-oxo- is C14H13NO.
What is the molecular weight of 1H-Indene-2-carbonitrile, 3-(1,1-dimethylethyl)-1-oxo-?
The molecular weight of 1H-Indene-2-carbonitrile, 3-(1,1-dimethylethyl)-1-oxo- is 211.10 g/mol.
Where can I buy 1H-Indene-2-carbonitrile, 3-(1,1-dimethylethyl)-1-oxo-?
You can request a quote for 1H-Indene-2-carbonitrile, 3-(1,1-dimethylethyl)-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-dimethylethyl)-1-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indene-2-carbonitrile, 3-(1,1-dimethylethyl)-1-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.