3-Bromoacenaphthene
TL;DR: 3-Bromoacenaphthene (CAS 5209-31-4) 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.
3-bromo-1,2-dihydroacenaphthylene
Also Known As: 3-Bromoacenaphthene, 3-bromo-1,2-dihydroacenaphthylene, Acenaphthene, 3-bromo-, Acenaphthene,3-bromo-, starbld0002968
| Molecular Formula | C12H9Br |
|---|---|
| Molecular Weight | 231.99 g/mol |
| LogP | 4.2 |
| 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 | 5209-31-4 |
|---|---|
| SMILES | C1CC2=C(C=CC3=C2C1=CC=C3)Br |
| InChIKey | ZCKOLZGEKZZPDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromoacenaphthene (CAS 5209-31-4), with molecular formula C12H9Br and molecular weight 231.99 g/mol. IUPAC: 3-bromo-1,2-dihydroacenaphthylene.
Chemical Property Profile of 3-Bromoacenaphthene
Property Insights of 3-Bromoacenaphthene
The XLogP value of 4.2 indicates that 3-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, 3-Bromoacenaphthene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Bromoacenaphthene?
The CAS number of 3-Bromoacenaphthene is 5209-31-4.
What is the molecular formula of 3-Bromoacenaphthene?
The molecular formula of 3-Bromoacenaphthene is C12H9Br.
What is the molecular weight of 3-Bromoacenaphthene?
The molecular weight of 3-Bromoacenaphthene is 231.99 g/mol.
Where can I buy 3-Bromoacenaphthene?
You can request a quote for 3-Bromoacenaphthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromoacenaphthene?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromoacenaphthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.