1-(4-Bromo-3-nitrophenyl)pentan-1-one
TL;DR: 1-(4-Bromo-3-nitrophenyl)pentan-1-one (CAS 99859-32-2) is a chemical compound with molecular formula C11H12BrNO3 and molecular weight 285.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromo-3-nitrophenyl)pentan-1-one
Also Known As: 1-(4-bromo-3-nitrophenyl)pentan-1-one
| Molecular Formula | C11H12BrNO3 |
|---|---|
| Molecular Weight | 285.00 g/mol |
| LogP | 3.7302 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.00006 |
| Heavy Atoms | 16 |
| Complexity | 417.69073 |
Chemical Identifiers
| CAS Number | 99859-32-2 |
|---|---|
| SMILES | CCCCC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-] |
Product Overview
1-(4-Bromo-3-nitrophenyl)pentan-1-one (CAS 99859-32-2), with molecular formula C11H12BrNO3 and molecular weight 285.00 g/mol. IUPAC: 1-(4-bromo-3-nitrophenyl)pentan-1-one.
Chemical Property Profile of 1-(4-Bromo-3-nitrophenyl)pentan-1-one
Property Insights of 1-(4-Bromo-3-nitrophenyl)pentan-1-one
The XLogP value of 3.7302 indicates that 1-(4-Bromo-3-nitrophenyl)pentan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Bromo-3-nitrophenyl)pentan-1-one. Following Lipinski's Rule of Five, 1-(4-Bromo-3-nitrophenyl)pentan-1-one 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-(4-Bromo-3-nitrophenyl)pentan-1-one?
The CAS number of 1-(4-Bromo-3-nitrophenyl)pentan-1-one is 99859-32-2.
What is the molecular formula of 1-(4-Bromo-3-nitrophenyl)pentan-1-one?
The molecular formula of 1-(4-Bromo-3-nitrophenyl)pentan-1-one is C11H12BrNO3.
What is the molecular weight of 1-(4-Bromo-3-nitrophenyl)pentan-1-one?
The molecular weight of 1-(4-Bromo-3-nitrophenyl)pentan-1-one is 285.00 g/mol.
Where can I buy 1-(4-Bromo-3-nitrophenyl)pentan-1-one?
You can request a quote for 1-(4-Bromo-3-nitrophenyl)pentan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromo-3-nitrophenyl)pentan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromo-3-nitrophenyl)pentan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.