(((9,10-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile
TL;DR: (((9,10-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile (CAS 21498-85-1) is a chemical compound with molecular formula C18H9N3O2 and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(9,10-dioxoanthracen-2-yl)amino]methylidene]propanedinitrile
Also Known As: (((9,10-DIOXO-2-ANTHRYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE, 2-[[(9,10-dioxoanthracen-2-yl)amino]methylidene]propanedinitrile, 2-[[(9,10-dioxo-2-anthryl)amino]methylene]propanedinitrile, 2-(((9,10-dioxo-9,10-dihydroanthracen-2-yl)amino)methylene)malononitrile, 2-{[(9,10-dioxo-9,10-dihydroanthracen-2-yl)amino]methylidene}propanedinitrile
| Molecular Formula | C18H9N3O2 |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 2.80496 |
| Topological Polar Surface Area | 93.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.0695 |
| Heavy Atoms | 23 |
| Complexity | 942.96246 |
Chemical Identifiers
| CAS Number | 21498-85-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC=C(C#N)C#N |
Product Overview
(((9,10-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile (CAS 21498-85-1), with molecular formula C18H9N3O2 and molecular weight 299.07 g/mol. IUPAC: 2-[[(9,10-dioxoanthracen-2-yl)amino]methylidene]propanedinitrile.
Chemical Property Profile of (((9,10-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile
Property Insights of (((9,10-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile
The XLogP value of 2.80496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (((9,10-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile. The TPSA of 93.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (((9,10-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile. Following Lipinski's Rule of Five, (((9,10-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile has 1 hydrogen bond donor(s) and 5 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-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile?
The CAS number of (((9,10-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile is 21498-85-1.
What is the molecular formula of (((9,10-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile?
The molecular formula of (((9,10-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile is C18H9N3O2.
What is the molecular weight of (((9,10-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile?
The molecular weight of (((9,10-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile is 299.07 g/mol.
Where can I buy (((9,10-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile?
You can request a quote for (((9,10-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((9,10-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (((9,10-Dioxo-2-anthryl)amino)methylene)methane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.