7-Chloro-1-nitroanthracene-9,10-dione
TL;DR: 7-Chloro-1-nitroanthracene-9,10-dione (CAS 71902-43-7) is a chemical compound with molecular formula C14H6ClNO4 and molecular weight 287.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-nitroanthracene-9,10-dione
Also Known As: 7-chloro-1-nitroanthracene-9,10-dione, 7-Chloro-1-nitroanthraquinone, 1-nitro-7-chloro-anthraquinone, 2-Cyano-3-(5-nitro-2-furyl)-n-(1-phenylethyl)prop-2-enamide
| Molecular Formula | C14H6ClNO4 |
|---|---|
| Molecular Weight | 287.00 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.99854 |
| Heavy Atoms | 20 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 71902-43-7 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C2=O)C=CC(=C3)Cl |
| InChIKey | VJHGOYHCKIQMQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Chloro-1-nitroanthracene-9,10-dione (CAS 71902-43-7), with molecular formula C14H6ClNO4 and molecular weight 287.00 g/mol. IUPAC: 7-chloro-1-nitroanthracene-9,10-dione.
Chemical Property Profile of 7-Chloro-1-nitroanthracene-9,10-dione
Property Insights of 7-Chloro-1-nitroanthracene-9,10-dione
The XLogP value of 3.3 indicates that 7-Chloro-1-nitroanthracene-9,10-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Chloro-1-nitroanthracene-9,10-dione. Following Lipinski's Rule of Five, 7-Chloro-1-nitroanthracene-9,10-dione 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 7-Chloro-1-nitroanthracene-9,10-dione?
The CAS number of 7-Chloro-1-nitroanthracene-9,10-dione is 71902-43-7.
What is the molecular formula of 7-Chloro-1-nitroanthracene-9,10-dione?
The molecular formula of 7-Chloro-1-nitroanthracene-9,10-dione is C14H6ClNO4.
What is the molecular weight of 7-Chloro-1-nitroanthracene-9,10-dione?
The molecular weight of 7-Chloro-1-nitroanthracene-9,10-dione is 287.00 g/mol.
Where can I buy 7-Chloro-1-nitroanthracene-9,10-dione?
You can request a quote for 7-Chloro-1-nitroanthracene-9,10-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-1-nitroanthracene-9,10-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-1-nitroanthracene-9,10-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.