4,6-Dinitrobenzene-1,3-dicarboxylic acid
TL;DR: 4,6-Dinitrobenzene-1,3-dicarboxylic acid (CAS 1872-40-8) is a chemical compound with molecular formula C8H4N2O8 and molecular weight 256.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dinitrobenzene-1,3-dicarboxylic acid
Also Known As: 4,6-dinitrobenzene-1,3-dicarboxylic acid, 4,6-Dinitroisophthalic acid, 4,6-Dinitro-1,3-benzenedicarboxylic acid, 1,3-Benzenedicarboxylicacid, 4,6-dinitro-, 1,3-Benzenedicarboxylic acid, 4,6-dinitro-
| Molecular Formula | C8H4N2O8 |
|---|---|
| Molecular Weight | 256.00 g/mol |
| LogP | 0.8994 |
| Topological Polar Surface Area | 160.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.99677 |
| Heavy Atoms | 18 |
| Complexity | 480.45483 |
Chemical Identifiers
| CAS Number | 1872-40-8 |
|---|---|
| SMILES | C1=C(C(=CC(=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
Product Overview
4,6-Dinitrobenzene-1,3-dicarboxylic acid (CAS 1872-40-8), with molecular formula C8H4N2O8 and molecular weight 256.00 g/mol. IUPAC: 4,6-dinitrobenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 4,6-Dinitrobenzene-1,3-dicarboxylic acid
Property Insights of 4,6-Dinitrobenzene-1,3-dicarboxylic acid
The XLogP value of 0.8994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dinitrobenzene-1,3-dicarboxylic acid. The TPSA of 160.88 Ų indicates high polarity, suggesting 4,6-Dinitrobenzene-1,3-dicarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,6-Dinitrobenzene-1,3-dicarboxylic acid 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 4,6-Dinitrobenzene-1,3-dicarboxylic acid?
The CAS number of 4,6-Dinitrobenzene-1,3-dicarboxylic acid is 1872-40-8.
What is the molecular formula of 4,6-Dinitrobenzene-1,3-dicarboxylic acid?
The molecular formula of 4,6-Dinitrobenzene-1,3-dicarboxylic acid is C8H4N2O8.
What is the molecular weight of 4,6-Dinitrobenzene-1,3-dicarboxylic acid?
The molecular weight of 4,6-Dinitrobenzene-1,3-dicarboxylic acid is 256.00 g/mol.
Where can I buy 4,6-Dinitrobenzene-1,3-dicarboxylic acid?
You can request a quote for 4,6-Dinitrobenzene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dinitrobenzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dinitrobenzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.