2-nitrobenzene-1,3,5-tricarboxylic Acid
TL;DR: 2-nitrobenzene-1,3,5-tricarboxylic Acid (CAS 19625-68-4) is a chemical compound with molecular formula C9H5NO8 and molecular weight 255.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrobenzene-1,3,5-tricarboxylic acid
Also Known As: nitrotrimesic acid, 2-nitrobenzene-1,3,5-tricarboxylic Acid, 2-nitro-1,3,5-benzenetricarboxylic acid, J3.355.873B
| Molecular Formula | C9H5NO8 |
|---|---|
| Molecular Weight | 255.00 g/mol |
| LogP | 0.6894 |
| Topological Polar Surface Area | 155.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.00151 |
| Heavy Atoms | 18 |
| Complexity | 540.92554 |
Chemical Identifiers
| CAS Number | 19625-68-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C(=O)O)[N+](=O)[O-])C(=O)O)C(=O)O |
Product Overview
2-nitrobenzene-1,3,5-tricarboxylic Acid (CAS 19625-68-4), with molecular formula C9H5NO8 and molecular weight 255.00 g/mol. IUPAC: 2-nitrobenzene-1,3,5-tricarboxylic acid.
Chemical Property Profile of 2-nitrobenzene-1,3,5-tricarboxylic Acid
Property Insights of 2-nitrobenzene-1,3,5-tricarboxylic Acid
The XLogP value of 0.6894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-nitrobenzene-1,3,5-tricarboxylic Acid. The TPSA of 155.04 Ų indicates high polarity, suggesting 2-nitrobenzene-1,3,5-tricarboxylic Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-nitrobenzene-1,3,5-tricarboxylic Acid has 3 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 2-nitrobenzene-1,3,5-tricarboxylic Acid?
The CAS number of 2-nitrobenzene-1,3,5-tricarboxylic Acid is 19625-68-4.
What is the molecular formula of 2-nitrobenzene-1,3,5-tricarboxylic Acid?
The molecular formula of 2-nitrobenzene-1,3,5-tricarboxylic Acid is C9H5NO8.
What is the molecular weight of 2-nitrobenzene-1,3,5-tricarboxylic Acid?
The molecular weight of 2-nitrobenzene-1,3,5-tricarboxylic Acid is 255.00 g/mol.
Where can I buy 2-nitrobenzene-1,3,5-tricarboxylic Acid?
You can request a quote for 2-nitrobenzene-1,3,5-tricarboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-nitrobenzene-1,3,5-tricarboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-nitrobenzene-1,3,5-tricarboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.