![2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone structure](/static/products/6562/65629-24-5.webp)
2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone
TL;DR: 2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone (CAS 65629-24-5) is a chemical compound with molecular formula C18H11BrO3 and molecular weight 353.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-3-(4-bromophenyl)naphthalene-1,4-dione
Also Known As: 2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone, 2-acetyl-3-(4-bromophenyl)naphthalene-1,4-dione, BAS 00295713, 2-acetyl-3-(4-bromophenyl)-1,4-naphthoquinone, 1,4-Naphthalenedione, 2-acetyl-3-(4-bromophenyl)-
| Molecular Formula | C18H11BrO3 |
|---|---|
| Molecular Weight | 353.99 g/mol |
| LogP | 3.8709 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.98917 |
| Heavy Atoms | 22 |
| Complexity | 844.8909 |
Chemical Identifiers
| CAS Number | 65629-24-5 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)C3=CC=C(C=C3)Br |
Product Overview
2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone (CAS 65629-24-5), with molecular formula C18H11BrO3 and molecular weight 353.99 g/mol. IUPAC: 2-acetyl-3-(4-bromophenyl)naphthalene-1,4-dione.
Chemical Property Profile of 2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone
Property Insights of 2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone
The XLogP value of 3.8709 indicates that 2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.21 Ų, 2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone has 0 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 2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone?
The CAS number of 2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone is 65629-24-5.
What is the molecular formula of 2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone?
The molecular formula of 2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone is C18H11BrO3.
What is the molecular weight of 2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone?
The molecular weight of 2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone is 353.99 g/mol.
Where can I buy 2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone?
You can request a quote for 2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-3-(4-bromo-phenyl)-[1,4]naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.