4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl 4-bromobenzoate
TL;DR: 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl 4-bromobenzoate (CAS 221206-26-4) is a chemical compound with molecular formula C20H15BrO4 and molecular weight 398.02 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] 4-bromobenzoate
Also Known As: BIM-0042737.P001, 4-hydroxy-2-(2-oxopropyl)naphthalen-1-yl 4-bromobenzoate, [4-hydroxy-2-(2-oxopropyl)naphthalen-1-yl] 4-bromobenzoate, 4-Bromo-benzoic acid 4-hydroxy-2-(2-oxo-propyl)-naphthalen-1-yl ester, 4-bromobenzoic acid (2-acetonyl-4-hydroxy-1-naphthyl) ester
| Molecular Formula | C20H15BrO4 |
|---|---|
| Molecular Weight | 398.02 g/mol |
| LogP | 4.6586 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.01538 |
| Heavy Atoms | 25 |
| Complexity | 961.34216 |
Chemical Identifiers
| CAS Number | 221206-26-4 |
|---|---|
| SMILES | CC(=O)CC1=C(C2=CC=CC=C2C(=C1)O)OC(=O)C3=CC=C(C=C3)Br |
Product Overview
4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl 4-bromobenzoate (CAS 221206-26-4), with molecular formula C20H15BrO4 and molecular weight 398.02 g/mol. IUPAC: [4-hydroxy-2-(2-oxopropyl)naphthalen-1-yl] 4-bromobenzoate.
Chemical Property Profile of 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl 4-bromobenzoate
Property Insights of 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl 4-bromobenzoate
The XLogP value of 4.6586 indicates that 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl 4-bromobenzoate 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 4-bromobenzoate. Following Lipinski's Rule of Five, 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl 4-bromobenzoate 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 4-bromobenzoate?
The CAS number of 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl 4-bromobenzoate is 221206-26-4.
What is the molecular formula of 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl 4-bromobenzoate?
The molecular formula of 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl 4-bromobenzoate is C20H15BrO4.
What is the molecular weight of 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl 4-bromobenzoate?
The molecular weight of 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl 4-bromobenzoate is 398.02 g/mol.
Where can I buy 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl 4-bromobenzoate?
You can request a quote for 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl 4-bromobenzoate 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 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2-(2-oxopropyl)naphthalen-1-yl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.