9,10-Dicyanoanthracene
TL;DR: 9,10-Dicyanoanthracene (CAS 1217-45-4) is a chemical compound with molecular formula C16H8N2 and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
anthracene-9,10-dicarbonitrile
Also Known As: 9,10-Dicyanoanthracene, 9,10-Anthracenedicarbonitrile, anthracene-9,10-dicarbonitrile, 9,10-Dicyanoanthracen, anthracene-9,10-dinitrile
| Molecular Formula | C16H8N2 |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.06874 |
| Heavy Atoms | 18 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 1217-45-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C#N)C#N |
| InChIKey | BIOPPFDHKHWJIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,10-Dicyanoanthracene (CAS 1217-45-4), with molecular formula C16H8N2 and molecular weight 228.07 g/mol. IUPAC: anthracene-9,10-dicarbonitrile.
Chemical Property Profile of 9,10-Dicyanoanthracene
Property Insights of 9,10-Dicyanoanthracene
The XLogP value of 4.0 indicates that 9,10-Dicyanoanthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 9,10-Dicyanoanthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Dicyanoanthracene 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 9,10-Dicyanoanthracene?
The CAS number of 9,10-Dicyanoanthracene is 1217-45-4.
What is the molecular formula of 9,10-Dicyanoanthracene?
The molecular formula of 9,10-Dicyanoanthracene is C16H8N2.
What is the molecular weight of 9,10-Dicyanoanthracene?
The molecular weight of 9,10-Dicyanoanthracene is 228.07 g/mol.
Where can I buy 9,10-Dicyanoanthracene?
You can request a quote for 9,10-Dicyanoanthracene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Dicyanoanthracene?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Dicyanoanthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.