2,5-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione
TL;DR: 2,5-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione (CAS 9059-23-8) is a chemical compound with molecular formula C6H2N2O8 and molecular weight 229.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dihydroxy-3,6-dinitrocyclohexa-2,5-diene-1,4-dione
Also Known As: Nitranilic acid, Nitranilsaure, Nitranilic acid [MI], 2,6-dinitroquinone, NITRANILICACID
| Molecular Formula | C6H2N2O8 |
|---|---|
| Molecular Weight | 229.98 g/mol |
| LogP | -0.7692 |
| Topological Polar Surface Area | 160.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.98111 |
| Heavy Atoms | 16 |
| Complexity | 452.65793 |
Chemical Identifiers
| CAS Number | 9059-23-8 |
|---|---|
| SMILES | C1(=C(C(=O)C(=C(C1=O)O)[N+](=O)[O-])O)[N+](=O)[O-] |
Product Overview
2,5-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione (CAS 9059-23-8), with molecular formula C6H2N2O8 and molecular weight 229.98 g/mol. IUPAC: 2,5-dihydroxy-3,6-dinitrocyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,5-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione
Property Insights of 2,5-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione
The XLogP value of -0.7692 indicates that 2,5-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 160.88 Ų indicates high polarity, suggesting 2,5-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,5-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione 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-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione?
The CAS number of 2,5-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione is 9059-23-8.
What is the molecular formula of 2,5-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione?
The molecular formula of 2,5-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione is C6H2N2O8.
What is the molecular weight of 2,5-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione?
The molecular weight of 2,5-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione is 229.98 g/mol.
Where can I buy 2,5-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione?
You can request a quote for 2,5-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.