5-Bromo-3-nitroacenaphthene
TL;DR: 5-Bromo-3-nitroacenaphthene (CAS 584-98-5) is a chemical compound with molecular formula C12H8BrNO2 and molecular weight 276.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-nitro-1,2-dihydroacenaphthylene
Also Known As: (S)-2-bromosuccinic acid, 5-Bromo-3-nitroacenaphthene, 5-bromo-3-nitro-1,2-dihydroacenaphthylene
| Molecular Formula | C12H8BrNO2 |
|---|---|
| Molecular Weight | 276.97 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.97385 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 584-98-5 |
|---|---|
| SMILES | C1CC2=C(C=C(C3=CC=CC1=C23)Br)[N+](=O)[O-] |
| InChIKey | JWVFFIKWBHHGFN-UHFFFAOYSA-N |
Product Overview
5-Bromo-3-nitroacenaphthene (CAS 584-98-5), with molecular formula C12H8BrNO2 and molecular weight 276.97 g/mol. IUPAC: 5-bromo-3-nitro-1,2-dihydroacenaphthylene.
Chemical Property Profile of 5-Bromo-3-nitroacenaphthene
Property Insights of 5-Bromo-3-nitroacenaphthene
The XLogP value of 4.0 indicates that 5-Bromo-3-nitroacenaphthene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 5-Bromo-3-nitroacenaphthene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-3-nitroacenaphthene has 0 hydrogen bond donor(s) and 2 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-Bromo-3-nitroacenaphthene?
The CAS number of 5-Bromo-3-nitroacenaphthene is 584-98-5.
What is the molecular formula of 5-Bromo-3-nitroacenaphthene?
The molecular formula of 5-Bromo-3-nitroacenaphthene is C12H8BrNO2.
What is the molecular weight of 5-Bromo-3-nitroacenaphthene?
The molecular weight of 5-Bromo-3-nitroacenaphthene is 276.97 g/mol.
Where can I buy 5-Bromo-3-nitroacenaphthene?
You can request a quote for 5-Bromo-3-nitroacenaphthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-3-nitroacenaphthene?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-3-nitroacenaphthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.