4,5-Dinitroanthracen-9(10H)-one
TL;DR: 4,5-Dinitroanthracen-9(10H)-one (CAS 71630-67-6) is a chemical compound with molecular formula C14H8N2O5 and molecular weight 284.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dinitro-10H-anthracen-9-one
Also Known As: 4,5-Dinitroanthrone, 4,5-Dinitroanthracen-9(10H)-one, 4,5-dinitroanthracen-9 -one, EINECS 275-733-4, 4,5-dinitro-10H-anthracen-9-one
| Molecular Formula | C14H8N2O5 |
|---|---|
| Molecular Weight | 284.04 g/mol |
| LogP | 2.6382 |
| Topological Polar Surface Area | 103.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.04333 |
| Heavy Atoms | 21 |
| Complexity | 747.50684 |
Chemical Identifiers
| CAS Number | 71630-67-6 |
|---|---|
| SMILES | C1C2=C(C=CC=C2[N+](=O)[O-])C(=O)C3=C1C(=CC=C3)[N+](=O)[O-] |
Product Overview
4,5-Dinitroanthracen-9(10H)-one (CAS 71630-67-6), with molecular formula C14H8N2O5 and molecular weight 284.04 g/mol. IUPAC: 4,5-dinitro-10H-anthracen-9-one.
Chemical Property Profile of 4,5-Dinitroanthracen-9(10H)-one
Property Insights of 4,5-Dinitroanthracen-9(10H)-one
The XLogP value of 2.6382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dinitroanthracen-9(10H)-one. The TPSA of 103.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dinitroanthracen-9(10H)-one. Following Lipinski's Rule of Five, 4,5-Dinitroanthracen-9(10H)-one has 0 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 4,5-Dinitroanthracen-9(10H)-one?
The CAS number of 4,5-Dinitroanthracen-9(10H)-one is 71630-67-6.
What is the molecular formula of 4,5-Dinitroanthracen-9(10H)-one?
The molecular formula of 4,5-Dinitroanthracen-9(10H)-one is C14H8N2O5.
What is the molecular weight of 4,5-Dinitroanthracen-9(10H)-one?
The molecular weight of 4,5-Dinitroanthracen-9(10H)-one is 284.04 g/mol.
Where can I buy 4,5-Dinitroanthracen-9(10H)-one?
You can request a quote for 4,5-Dinitroanthracen-9(10H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dinitroanthracen-9(10H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dinitroanthracen-9(10H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.