1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo-
TL;DR: 1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo- (CAS 90866-50-5) is a chemical compound with molecular formula C16H6N2O2 and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dioxoanthracene-1,8-dicarbonitrile
Also Known As: 9,10-dioxoanthracene-1,8-dicarbonitrile, Anthraquinone-1,8-dicarboxylic acid; Dinitrile, 1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo-, 9,10-Dioxo-9,10-dihydroanthracene-1,8-dicarbonitrile, 9,10-Dioxo-9,10-dihydro-1,8-anthracenedicarbonitrile #
| Molecular Formula | C16H6N2O2 |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.04294 |
| Heavy Atoms | 20 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 90866-50-5 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)C(=O)C3=CC=CC(=C3C2=O)C#N)C#N |
| InChIKey | RXIDUQGGXYHIKU-UHFFFAOYSA-N |
Product Overview
1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo- (CAS 90866-50-5), with molecular formula C16H6N2O2 and molecular weight 258.04 g/mol. IUPAC: 9,10-dioxoanthracene-1,8-dicarbonitrile.
Chemical Property Profile of 1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo-
Property Insights of 1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo-. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo-. Following Lipinski's Rule of Five, 1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo- has 0 hydrogen bond donor(s) and 4 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 1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo-?
The CAS number of 1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo- is 90866-50-5.
What is the molecular formula of 1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo-?
The molecular formula of 1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo- is C16H6N2O2.
What is the molecular weight of 1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo-?
The molecular weight of 1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo- is 258.04 g/mol.
Where can I buy 1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo-?
You can request a quote for 1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo-?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Anthracenedinitrile, 9,10-dihydro-9,10-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.