6-bromoacenaphthylen-1(2H)-one
TL;DR: 6-bromoacenaphthylen-1(2H)-one (CAS 5386-09-4) is a chemical compound with molecular formula C12H7BrO and molecular weight 245.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2H-acenaphthylen-1-one
Also Known As: 5-Bromoacenaphthenone-2, 6-bromo-1-acenaphthenone, 6-bromoacenaphthylen-1(2H)-one, 6-bromo-2H-acenaphthylen-1-one, 1(2H)-Acenaphthylenone, 6-bromo-
| Molecular Formula | C12H7BrO |
|---|---|
| Molecular Weight | 245.97 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.96803 |
| Heavy Atoms | 14 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 5386-09-4 |
|---|---|
| SMILES | C1C2=C3C(=CC=C2)C(=CC=C3C1=O)Br |
| InChIKey | HFUWXIPPBJXMFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-bromoacenaphthylen-1(2H)-one (CAS 5386-09-4), with molecular formula C12H7BrO and molecular weight 245.97 g/mol. IUPAC: 6-bromo-2H-acenaphthylen-1-one.
Chemical Property Profile of 6-bromoacenaphthylen-1(2H)-one
Property Insights of 6-bromoacenaphthylen-1(2H)-one
The XLogP value of 3.3 indicates that 6-bromoacenaphthylen-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 6-bromoacenaphthylen-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-bromoacenaphthylen-1(2H)-one 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 6-bromoacenaphthylen-1(2H)-one?
The CAS number of 6-bromoacenaphthylen-1(2H)-one is 5386-09-4.
What is the molecular formula of 6-bromoacenaphthylen-1(2H)-one?
The molecular formula of 6-bromoacenaphthylen-1(2H)-one is C12H7BrO.
What is the molecular weight of 6-bromoacenaphthylen-1(2H)-one?
The molecular weight of 6-bromoacenaphthylen-1(2H)-one is 245.97 g/mol.
Where can I buy 6-bromoacenaphthylen-1(2H)-one?
You can request a quote for 6-bromoacenaphthylen-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-bromoacenaphthylen-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-bromoacenaphthylen-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.