8-Nitro-1-naphthoic acid
TL;DR: 8-Nitro-1-naphthoic acid (CAS 2216-13-9) is a chemical compound with molecular formula C11H7NO4 and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-nitronaphthalene-1-carboxylic acid
Also Known As: 8-Nitro-1-naphthoic acid, 8-nitronaphthalene-1-carboxylic acid, 8-Nitro-1-naphthalenecarboxylic acid, 1-Naphthoic acid, 8-nitro-, 8-Nitro-1-naphthoicacid
| Molecular Formula | C11H7NO4 |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.0375 |
| Heavy Atoms | 16 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 2216-13-9 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)C(=O)O)C(=CC=C2)[N+](=O)[O-] |
| InChIKey | USMKVLABRYGBJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Nitro-1-naphthoic acid (CAS 2216-13-9), with molecular formula C11H7NO4 and molecular weight 217.04 g/mol. IUPAC: 8-nitronaphthalene-1-carboxylic acid.
Chemical Property Profile of 8-Nitro-1-naphthoic acid
Property Insights of 8-Nitro-1-naphthoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Nitro-1-naphthoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Nitro-1-naphthoic acid. Following Lipinski's Rule of Five, 8-Nitro-1-naphthoic acid has 1 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 8-Nitro-1-naphthoic acid?
The CAS number of 8-Nitro-1-naphthoic acid is 2216-13-9.
What is the molecular formula of 8-Nitro-1-naphthoic acid?
The molecular formula of 8-Nitro-1-naphthoic acid is C11H7NO4.
What is the molecular weight of 8-Nitro-1-naphthoic acid?
The molecular weight of 8-Nitro-1-naphthoic acid is 217.04 g/mol.
Where can I buy 8-Nitro-1-naphthoic acid?
You can request a quote for 8-Nitro-1-naphthoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Nitro-1-naphthoic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-Nitro-1-naphthoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.