4-Nitroisophthalic acid
TL;DR: 4-Nitroisophthalic acid (CAS 4315-09-7) is a chemical compound with molecular formula C8H5NO6 and molecular weight 211.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitrobenzene-1,3-dicarboxylic acid
Also Known As: 4-Nitroisophthalic acid, 4-Nitroisophathalic Acid, 4-nitrobenzene-1,3-dicarboxylic Acid, 4-nitroisophthalicacid, Pomalidomide Impurity 33
| Molecular Formula | C8H5NO6 |
|---|---|
| Molecular Weight | 211.01 g/mol |
| LogP | 0.9912 |
| Topological Polar Surface Area | 117.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.01169 |
| Heavy Atoms | 15 |
| Complexity | 452.44516 |
Chemical Identifiers
| CAS Number | 4315-09-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)C(=O)O)[N+](=O)[O-] |
Product Overview
4-Nitroisophthalic acid (CAS 4315-09-7), with molecular formula C8H5NO6 and molecular weight 211.01 g/mol. IUPAC: 4-nitrobenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 4-Nitroisophthalic acid
Property Insights of 4-Nitroisophthalic acid
The XLogP value of 0.9912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitroisophthalic acid. The TPSA of 117.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitroisophthalic acid. Following Lipinski's Rule of Five, 4-Nitroisophthalic acid has 2 hydrogen bond donor(s) and 4 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-Nitroisophthalic acid?
The CAS number of 4-Nitroisophthalic acid is 4315-09-7.
What is the molecular formula of 4-Nitroisophthalic acid?
The molecular formula of 4-Nitroisophthalic acid is C8H5NO6.
What is the molecular weight of 4-Nitroisophthalic acid?
The molecular weight of 4-Nitroisophthalic acid is 211.01 g/mol.
Where can I buy 4-Nitroisophthalic acid?
You can request a quote for 4-Nitroisophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitroisophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitroisophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.