1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile
TL;DR: 1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile (CAS 97404-77-8) is a chemical compound with molecular formula C16H7N3O3 and molecular weight 289.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile
Also Known As: BAS 00498266, 1-amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile, 1-Amino-4-hydroxy-9,10-dioxo-9,10-dihydro-anthracene-2,3-dicarbonitrile, 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2,3-dicarbonitrile, 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydro-2,3-anthracenedicarbonitrile
| Molecular Formula | C16H7N3O3 |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | 1.49316 |
| Topological Polar Surface Area | 127.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 289.04874 |
| Heavy Atoms | 22 |
| Complexity | 884.06714 |
Chemical Identifiers
| CAS Number | 97404-77-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C(=C(C(=C3C2=O)O)C#N)C#N)N |
Product Overview
1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile (CAS 97404-77-8), with molecular formula C16H7N3O3 and molecular weight 289.05 g/mol. IUPAC: 1-amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile.
Chemical Property Profile of 1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile
Property Insights of 1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile
The XLogP value of 1.49316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile. The TPSA of 127.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile. Following Lipinski's Rule of Five, 1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile has 2 hydrogen bond donor(s) and 6 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-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile?
The CAS number of 1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile is 97404-77-8.
What is the molecular formula of 1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile?
The molecular formula of 1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile is C16H7N3O3.
What is the molecular weight of 1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile?
The molecular weight of 1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile is 289.05 g/mol.
Where can I buy 1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile?
You can request a quote for 1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-4-hydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.