1-Bromo-5-nitronaphthalene
TL;DR: 1-Bromo-5-nitronaphthalene (CAS 577-94-6) is a chemical compound with molecular formula C10H6BrNO2 and molecular weight 250.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-5-nitronaphthalene
Also Known As: 1-Bromo-5-nitronaphthalene, 5-BROMO-1-NITRO-NAPHTHALENE, 5-Bromo-1-nitronaphthalene, Naphthalene, 1-bromo-5-nitro-, 1-bromo-5-nitro-naphthalene
| Molecular Formula | C10H6BrNO2 |
|---|---|
| Molecular Weight | 250.96 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.95819 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 577-94-6 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2Br)C(=C1)[N+](=O)[O-] |
| InChIKey | OTYRDQXZRJZHOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-5-nitronaphthalene (CAS 577-94-6), with molecular formula C10H6BrNO2 and molecular weight 250.96 g/mol. IUPAC: 1-bromo-5-nitronaphthalene.
Chemical Property Profile of 1-Bromo-5-nitronaphthalene
Property Insights of 1-Bromo-5-nitronaphthalene
The XLogP value of 3.4 indicates that 1-Bromo-5-nitronaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Bromo-5-nitronaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-5-nitronaphthalene 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 1-Bromo-5-nitronaphthalene?
The CAS number of 1-Bromo-5-nitronaphthalene is 577-94-6.
What is the molecular formula of 1-Bromo-5-nitronaphthalene?
The molecular formula of 1-Bromo-5-nitronaphthalene is C10H6BrNO2.
What is the molecular weight of 1-Bromo-5-nitronaphthalene?
The molecular weight of 1-Bromo-5-nitronaphthalene is 250.96 g/mol.
Where can I buy 1-Bromo-5-nitronaphthalene?
You can request a quote for 1-Bromo-5-nitronaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-5-nitronaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-5-nitronaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.