4-Nitronaphthalene-1,8-dicarboxylic acid
TL;DR: 4-Nitronaphthalene-1,8-dicarboxylic acid (CAS 5425-83-2) is a chemical compound with molecular formula C12H7NO6 and molecular weight 261.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitronaphthalene-1,8-dicarboxylic acid
Also Known As: 4-nitronaphthalene-1,8-dicarboxylic acid, 1,8-naphthalenedicarboxylic acid, 4-nitro-, KST-1B6443, 1,8-Naphthalenedicarboxylicacid, 4-nitro-, 4-nitro-naphthalene-1,8-dicarboxylic acid
| Molecular Formula | C12H7NO6 |
|---|---|
| Molecular Weight | 261.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.02734 |
| Heavy Atoms | 19 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 5425-83-2 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2C(=C1)C(=O)O)C(=O)O)[N+](=O)[O-] |
| InChIKey | MUXFCBHANADOHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitronaphthalene-1,8-dicarboxylic acid (CAS 5425-83-2), with molecular formula C12H7NO6 and molecular weight 261.03 g/mol. IUPAC: 4-nitronaphthalene-1,8-dicarboxylic acid.
Chemical Property Profile of 4-Nitronaphthalene-1,8-dicarboxylic acid
Property Insights of 4-Nitronaphthalene-1,8-dicarboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitronaphthalene-1,8-dicarboxylic acid. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitronaphthalene-1,8-dicarboxylic acid. Following Lipinski's Rule of Five, 4-Nitronaphthalene-1,8-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-Nitronaphthalene-1,8-dicarboxylic acid?
The CAS number of 4-Nitronaphthalene-1,8-dicarboxylic acid is 5425-83-2.
What is the molecular formula of 4-Nitronaphthalene-1,8-dicarboxylic acid?
The molecular formula of 4-Nitronaphthalene-1,8-dicarboxylic acid is C12H7NO6.
What is the molecular weight of 4-Nitronaphthalene-1,8-dicarboxylic acid?
The molecular weight of 4-Nitronaphthalene-1,8-dicarboxylic acid is 261.03 g/mol.
Where can I buy 4-Nitronaphthalene-1,8-dicarboxylic acid?
You can request a quote for 4-Nitronaphthalene-1,8-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-Nitronaphthalene-1,8-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitronaphthalene-1,8-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.