![4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline structure](/static/products/954/954232-13-4.png)
4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline
TL;DR: 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline (CAS 954232-13-4) is a chemical compound with molecular formula C13H10BrFN2O2 and molecular weight 323.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline
Also Known As: 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline, (4-Bromo-2-nitro-phenyl)-(4-fluoro-benzyl)-amine, N-(4-Bromo-2-nitrophenyl)-4-fluorobenzenemethanamine
| Molecular Formula | C13H10BrFN2O2 |
|---|---|
| Molecular Weight | 323.99 g/mol |
| LogP | 4.1085 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.99097 |
| Heavy Atoms | 19 |
| Complexity | 602.0922 |
Chemical Identifiers
| CAS Number | 954232-13-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC2=C(C=C(C=C2)Br)[N+](=O)[O-])F |
Product Overview
4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline (CAS 954232-13-4), with molecular formula C13H10BrFN2O2 and molecular weight 323.99 g/mol. IUPAC: 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline.
Chemical Property Profile of 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline
Property Insights of 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline
The XLogP value of 4.1085 indicates that 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline has 1 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 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline?
The CAS number of 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline is 954232-13-4.
What is the molecular formula of 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline?
The molecular formula of 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline is C13H10BrFN2O2.
What is the molecular weight of 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline?
The molecular weight of 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline is 323.99 g/mol.
Where can I buy 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline?
You can request a quote for 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-[(4-fluorophenyl)methyl]-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.