4-Bromo-1-naphthoic acid
TL;DR: 4-Bromo-1-naphthoic acid (CAS 16712-69-9) is a chemical compound with molecular formula C11H7BrO2 and molecular weight 249.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromonaphthalene-1-carboxylic acid
Also Known As: 4-Bromo-1-naphthoic acid, 4-Bromo-1-naphthalenecarboxylic acid, 4-bromonaphthalene-1-carboxylic acid, 4-Bromo-1-Naphtalenecarboxylic Acid, 3-Chloroanisole
| Molecular Formula | C11H7BrO2 |
|---|---|
| Molecular Weight | 249.96 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.96294 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 16712-69-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2Br)C(=O)O |
| InChIKey | FIJIPZQZVLCOMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-1-naphthoic acid (CAS 16712-69-9), with molecular formula C11H7BrO2 and molecular weight 249.96 g/mol. IUPAC: 4-bromonaphthalene-1-carboxylic acid.
Chemical Property Profile of 4-Bromo-1-naphthoic acid
Property Insights of 4-Bromo-1-naphthoic acid
The XLogP value of 3.8 indicates that 4-Bromo-1-naphthoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Bromo-1-naphthoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1-naphthoic acid has 1 hydrogen bond donor(s) and 2 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-Bromo-1-naphthoic acid?
The CAS number of 4-Bromo-1-naphthoic acid is 16712-69-9.
What is the molecular formula of 4-Bromo-1-naphthoic acid?
The molecular formula of 4-Bromo-1-naphthoic acid is C11H7BrO2.
What is the molecular weight of 4-Bromo-1-naphthoic acid?
The molecular weight of 4-Bromo-1-naphthoic acid is 249.96 g/mol.
Where can I buy 4-Bromo-1-naphthoic acid?
You can request a quote for 4-Bromo-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 4-Bromo-1-naphthoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-naphthoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.