3-Benzoyl-2-naphthoic acid
TL;DR: 3-Benzoyl-2-naphthoic acid (CAS 4660-96-2) is a chemical compound with molecular formula C18H12O3 and molecular weight 276.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzoylnaphthalene-2-carboxylic acid
Also Known As: 3-Benzoyl-2-naphthoic acid, 3-benzoylnaphthalene-2-carboxylic acid, 2-Naphthalenecarboxylic acid, 3-benzoyl-, 2-Naphthalenecarboxylicacid, 3-benzoyl-, 3-BENZOYL-2-NAPHTHALENECARBOXYLIC ACID
| Molecular Formula | C18H12O3 |
|---|---|
| Molecular Weight | 276.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.07864 |
| Heavy Atoms | 21 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 4660-96-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C=C2C(=O)O |
| InChIKey | GDYNSPPOLCIHSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzoyl-2-naphthoic acid (CAS 4660-96-2), with molecular formula C18H12O3 and molecular weight 276.08 g/mol. IUPAC: 3-benzoylnaphthalene-2-carboxylic acid.
Chemical Property Profile of 3-Benzoyl-2-naphthoic acid
Property Insights of 3-Benzoyl-2-naphthoic acid
The XLogP value of 4.0 indicates that 3-Benzoyl-2-naphthoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Benzoyl-2-naphthoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzoyl-2-naphthoic acid has 1 hydrogen bond donor(s) and 3 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 3-Benzoyl-2-naphthoic acid?
The CAS number of 3-Benzoyl-2-naphthoic acid is 4660-96-2.
What is the molecular formula of 3-Benzoyl-2-naphthoic acid?
The molecular formula of 3-Benzoyl-2-naphthoic acid is C18H12O3.
What is the molecular weight of 3-Benzoyl-2-naphthoic acid?
The molecular weight of 3-Benzoyl-2-naphthoic acid is 276.08 g/mol.
Where can I buy 3-Benzoyl-2-naphthoic acid?
You can request a quote for 3-Benzoyl-2-naphthoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoyl-2-naphthoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-2-naphthoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.