5-Bromoacenaphthene
TL;DR: 5-Bromoacenaphthene (CAS 2051-98-1) is a chemical compound with molecular formula C12H9Br and molecular weight 231.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1,2-dihydroacenaphthylene
Also Known As: 5-Bromoacenaphthene, 5-Bromo-1,2-dihydroacenaphthylene, Acenaphthene, 5-bromo-, 5-Bromoacenaphtene, 5-bromo-acenaphthene
| Molecular Formula | C12H9Br |
|---|---|
| Molecular Weight | 231.99 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.98875 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 2051-98-1 |
|---|---|
| SMILES | C1CC2=CC=C(C3=CC=CC1=C23)Br |
| InChIKey | QALKJGMGKYKMKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromoacenaphthene (CAS 2051-98-1), with molecular formula C12H9Br and molecular weight 231.99 g/mol. IUPAC: 5-bromo-1,2-dihydroacenaphthylene.
Chemical Property Profile of 5-Bromoacenaphthene
Property Insights of 5-Bromoacenaphthene
The XLogP value of 4.7 indicates that 5-Bromoacenaphthene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Bromoacenaphthene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromoacenaphthene has 0 hydrogen bond donor(s) and 0 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 5-Bromoacenaphthene?
The CAS number of 5-Bromoacenaphthene is 2051-98-1.
What is the molecular formula of 5-Bromoacenaphthene?
The molecular formula of 5-Bromoacenaphthene is C12H9Br.
What is the molecular weight of 5-Bromoacenaphthene?
The molecular weight of 5-Bromoacenaphthene is 231.99 g/mol.
Where can I buy 5-Bromoacenaphthene?
You can request a quote for 5-Bromoacenaphthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromoacenaphthene?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromoacenaphthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.