2,5-Dinitrochrysazin
TL;DR: 2,5-Dinitrochrysazin (CAS 39003-36-6) is a chemical compound with molecular formula C14H6N2O8 and molecular weight 330.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-dihydroxy-2,5-dinitroanthracene-9,10-dione
Also Known As: 2,5-Dinitrochrysazin, EINECS 254-245-5, 1,8-Dihydroxy-2,5-dinitroanthraquinone, 9,10-Anthracenedione, 1,8-dihydroxy-2,5-dinitro-, 1,8-dihydroxy-2,5-dinitroanthracene-9,10-dione
| Molecular Formula | C14H6N2O8 |
|---|---|
| Molecular Weight | 330.01 g/mol |
| LogP | 1.6896 |
| Topological Polar Surface Area | 160.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.01242 |
| Heavy Atoms | 24 |
| Complexity | 975.2251 |
Chemical Identifiers
| CAS Number | 39003-36-6 |
|---|---|
| SMILES | C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-])O)[N+](=O)[O-] |
Product Overview
2,5-Dinitrochrysazin (CAS 39003-36-6), with molecular formula C14H6N2O8 and molecular weight 330.01 g/mol. IUPAC: 1,8-dihydroxy-2,5-dinitroanthracene-9,10-dione.
Chemical Property Profile of 2,5-Dinitrochrysazin
Property Insights of 2,5-Dinitrochrysazin
The XLogP value of 1.6896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dinitrochrysazin. The TPSA of 160.88 Ų indicates high polarity, suggesting 2,5-Dinitrochrysazin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,5-Dinitrochrysazin has 2 hydrogen bond donor(s) and 8 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 2,5-Dinitrochrysazin?
The CAS number of 2,5-Dinitrochrysazin is 39003-36-6.
What is the molecular formula of 2,5-Dinitrochrysazin?
The molecular formula of 2,5-Dinitrochrysazin is C14H6N2O8.
What is the molecular weight of 2,5-Dinitrochrysazin?
The molecular weight of 2,5-Dinitrochrysazin is 330.01 g/mol.
Where can I buy 2,5-Dinitrochrysazin?
You can request a quote for 2,5-Dinitrochrysazin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dinitrochrysazin?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dinitrochrysazin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.