4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate
TL;DR: 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate (CAS 221206-23-1) is a chemical compound with molecular formula C20H16O4 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-hydroxy-2-(2-oxopropyl)naphthalen-1-yl] benzoate
Also Known As: 4-hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate, BIM-0042818.P001, 4-hydroxy-2-(2-oxopropyl)-1-naphthyl benzoate, [4-hydroxy-2-(2-oxopropyl)naphthalen-1-yl] benzoate, benzoic acid (2-acetonyl-4-hydroxy-1-naphthyl) ester
| Molecular Formula | C20H16O4 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 3.8961 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.10486 |
| Heavy Atoms | 24 |
| Complexity | 913.5751 |
Chemical Identifiers
| CAS Number | 221206-23-1 |
|---|---|
| SMILES | CC(=O)CC1=C(C2=CC=CC=C2C(=C1)O)OC(=O)C3=CC=CC=C3 |
Product Overview
4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate (CAS 221206-23-1), with molecular formula C20H16O4 and molecular weight 320.10 g/mol. IUPAC: [4-hydroxy-2-(2-oxopropyl)naphthalen-1-yl] benzoate.
Chemical Property Profile of 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate
Property Insights of 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate
The XLogP value of 3.8961 indicates that 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate. Following Lipinski's Rule of Five, 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate 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 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate?
The CAS number of 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate is 221206-23-1.
What is the molecular formula of 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate?
The molecular formula of 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate is C20H16O4.
What is the molecular weight of 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate?
The molecular weight of 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate is 320.10 g/mol.
Where can I buy 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate?
You can request a quote for 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.