2-(Cyanomethyl)-1-indanone
TL;DR: 2-(Cyanomethyl)-1-indanone (CAS 22186-58-9) is a chemical compound with molecular formula C11H9NO and molecular weight 171.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-1,2-dihydroinden-2-yl)acetonitrile
Also Known As: 2-(CYANOMETHYL)-1-INDANONE, 2-(1-oxo-2,3-dihydro-1H-inden-2-yl)acetonitrile, 2-(3-oxo-1,2-dihydroinden-2-yl)acetonitrile, 668-500-7, RefChem:460395
| Molecular Formula | C11H9NO |
|---|---|
| Molecular Weight | 171.07 g/mol |
| LogP | 1.95528 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.06842 |
| Heavy Atoms | 13 |
| Complexity | 389.3219 |
Chemical Identifiers
| CAS Number | 22186-58-9 |
|---|---|
| SMILES | C1C(C(=O)C2=CC=CC=C21)CC#N |
Product Overview
2-(Cyanomethyl)-1-indanone (CAS 22186-58-9), with molecular formula C11H9NO and molecular weight 171.07 g/mol. IUPAC: 2-(3-oxo-1,2-dihydroinden-2-yl)acetonitrile.
Chemical Property Profile of 2-(Cyanomethyl)-1-indanone
Property Insights of 2-(Cyanomethyl)-1-indanone
The XLogP value of 1.95528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Cyanomethyl)-1-indanone. With a topological polar surface area (TPSA) of 40.86 Ų, 2-(Cyanomethyl)-1-indanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Cyanomethyl)-1-indanone 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 2-(Cyanomethyl)-1-indanone?
The CAS number of 2-(Cyanomethyl)-1-indanone is 22186-58-9.
What is the molecular formula of 2-(Cyanomethyl)-1-indanone?
The molecular formula of 2-(Cyanomethyl)-1-indanone is C11H9NO.
What is the molecular weight of 2-(Cyanomethyl)-1-indanone?
The molecular weight of 2-(Cyanomethyl)-1-indanone is 171.07 g/mol.
Where can I buy 2-(Cyanomethyl)-1-indanone?
You can request a quote for 2-(Cyanomethyl)-1-indanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Cyanomethyl)-1-indanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Cyanomethyl)-1-indanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.