![3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile structure](/static/products/2075/20758-60-5.webp)
3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile
TL;DR: 3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile (CAS 20758-60-5) is a chemical compound with molecular formula C18H17N3 and molecular weight 275.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,3-bis(2-cyanoethyl)inden-1-yl]propanenitrile
Also Known As: 1,1,3-Indenetripropionitrile, 1H-Indene-1,1,3-tripropanenitrile, NIOSH/NK8850000, 1,1,3-Tris-<2-cyan-aethyll-inden, 3-[3,3-bis(2-cyanoethyl)inden-1-yl]propanenitrile
| Molecular Formula | C18H17N3 |
|---|---|
| Molecular Weight | 275.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.14224 |
| Heavy Atoms | 21 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 20758-60-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC2(CCC#N)CCC#N)CCC#N |
| InChIKey | ZNGGADTVLFYLIB-UHFFFAOYSA-N |
Product Overview
3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile (CAS 20758-60-5), with molecular formula C18H17N3 and molecular weight 275.14 g/mol. IUPAC: 3-[3,3-bis(2-cyanoethyl)inden-1-yl]propanenitrile.
Chemical Property Profile of 3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile
Property Insights of 3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile. Following Lipinski's Rule of Five, 3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile has 0 hydrogen bond donor(s) and 3 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 3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile?
The CAS number of 3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile is 20758-60-5.
What is the molecular formula of 3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile?
The molecular formula of 3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile is C18H17N3.
What is the molecular weight of 3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile?
The molecular weight of 3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile is 275.14 g/mol.
Where can I buy 3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile?
You can request a quote for 3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.