1-(2-Bromo-4-nitrophenyl)azepane
TL;DR: 1-(2-Bromo-4-nitrophenyl)azepane (CAS 477846-52-9) is a chemical compound with molecular formula C12H15BrN2O2 and molecular weight 298.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromo-4-nitrophenyl)azepane
Also Known As: 1-(2-bromo-4-nitrophenyl)azepane, 1-(2-bromo-4-nitro-phenyl)azepane, 10P-001
| Molecular Formula | C12H15BrN2O2 |
|---|---|
| Molecular Weight | 298.03 g/mol |
| LogP | 3.7377 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.03168 |
| Heavy Atoms | 17 |
| Complexity | 414.9667 |
Chemical Identifiers
| CAS Number | 477846-52-9 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Br |
Product Overview
1-(2-Bromo-4-nitrophenyl)azepane (CAS 477846-52-9), with molecular formula C12H15BrN2O2 and molecular weight 298.03 g/mol. IUPAC: 1-(2-bromo-4-nitrophenyl)azepane.
Chemical Property Profile of 1-(2-Bromo-4-nitrophenyl)azepane
Property Insights of 1-(2-Bromo-4-nitrophenyl)azepane
The XLogP value of 3.7377 indicates that 1-(2-Bromo-4-nitrophenyl)azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.38 Ų, 1-(2-Bromo-4-nitrophenyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Bromo-4-nitrophenyl)azepane has 0 hydrogen bond donor(s) and 3 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-(2-Bromo-4-nitrophenyl)azepane?
The CAS number of 1-(2-Bromo-4-nitrophenyl)azepane is 477846-52-9.
What is the molecular formula of 1-(2-Bromo-4-nitrophenyl)azepane?
The molecular formula of 1-(2-Bromo-4-nitrophenyl)azepane is C12H15BrN2O2.
What is the molecular weight of 1-(2-Bromo-4-nitrophenyl)azepane?
The molecular weight of 1-(2-Bromo-4-nitrophenyl)azepane is 298.03 g/mol.
Where can I buy 1-(2-Bromo-4-nitrophenyl)azepane?
You can request a quote for 1-(2-Bromo-4-nitrophenyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Bromo-4-nitrophenyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Bromo-4-nitrophenyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.