1-(4-Bromonaphthalen-1-yl)ethanone
TL;DR: 1-(4-Bromonaphthalen-1-yl)ethanone (CAS 46258-62-2) is a chemical compound with molecular formula C12H9BrO and molecular weight 247.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromonaphthalen-1-yl)ethanone
Also Known As: 1-(4-bromonaphthalen-1-yl)ethanone, Afoxolaner Impurity 16, 4-bromo-1-acetonaphthone, 1-(4-brom-1-naphthyl)ethanon, 1-(1-BROMONAPHTHALEN-4-YL)ETHANONE
| Molecular Formula | C12H9BrO |
|---|---|
| Molecular Weight | 247.98 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.98367 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 46258-62-2 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C2=CC=CC=C21)Br |
| InChIKey | CSVHMWORIJZGTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Bromonaphthalen-1-yl)ethanone (CAS 46258-62-2), with molecular formula C12H9BrO and molecular weight 247.98 g/mol. IUPAC: 1-(4-bromonaphthalen-1-yl)ethanone.
Chemical Property Profile of 1-(4-Bromonaphthalen-1-yl)ethanone
Property Insights of 1-(4-Bromonaphthalen-1-yl)ethanone
The XLogP value of 3.5 indicates that 1-(4-Bromonaphthalen-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(4-Bromonaphthalen-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromonaphthalen-1-yl)ethanone has 0 hydrogen bond donor(s) and 1 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 1-(4-Bromonaphthalen-1-yl)ethanone?
The CAS number of 1-(4-Bromonaphthalen-1-yl)ethanone is 46258-62-2.
What is the molecular formula of 1-(4-Bromonaphthalen-1-yl)ethanone?
The molecular formula of 1-(4-Bromonaphthalen-1-yl)ethanone is C12H9BrO.
What is the molecular weight of 1-(4-Bromonaphthalen-1-yl)ethanone?
The molecular weight of 1-(4-Bromonaphthalen-1-yl)ethanone is 247.98 g/mol.
Where can I buy 1-(4-Bromonaphthalen-1-yl)ethanone?
You can request a quote for 1-(4-Bromonaphthalen-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromonaphthalen-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromonaphthalen-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.