![3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile structure](/static/products/5223/52236-45-0.webp)
3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile
TL;DR: 3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile (CAS 52236-45-0) is a chemical compound with molecular formula C20H16N2O and molecular weight 300.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[9-(2-cyanoethyl)-10-oxoanthracen-9-yl]propanenitrile
Also Known As: 3-[9-(2-cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile, 3-[9-(2-cyanoethyl)-10-oxoanthracen-9-yl]propanenitrile, 3,3'-(10-Oxo-9,10-dihydroanthracene-9,9-diyl)dipropanenitrile
| Molecular Formula | C20H16N2O |
|---|---|
| Molecular Weight | 300.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.12625 |
| Heavy Atoms | 23 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 52236-45-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(CCC#N)CCC#N |
| InChIKey | UEAAJEKNAGKTKF-UHFFFAOYSA-N |
Product Overview
3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile (CAS 52236-45-0), with molecular formula C20H16N2O and molecular weight 300.13 g/mol. IUPAC: 3-[9-(2-cyanoethyl)-10-oxoanthracen-9-yl]propanenitrile.
Chemical Property Profile of 3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile
Property Insights of 3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile
The XLogP value of 3.2 indicates that 3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile. Following Lipinski's Rule of Five, 3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-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-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile?
The CAS number of 3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile is 52236-45-0.
What is the molecular formula of 3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile?
The molecular formula of 3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile is C20H16N2O.
What is the molecular weight of 3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile?
The molecular weight of 3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile is 300.13 g/mol.
Where can I buy 3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile?
You can request a quote for 3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-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-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.