N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline
TL;DR: N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline (CAS 306730-60-9) is a chemical compound with molecular formula C14H12BrFN2O3 and molecular weight 354.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromo-2-methoxyphenyl)methyl]-4-fluoro-3-nitroaniline
Also Known As: N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline, N-[(5-bromo-2-methoxyphenyl)methyl]-4-fluoro-3-nitroaniline, N-[(5-bromo-2-methoxy-phenyl)methyl]-4-fluoro-3-nitro-aniline, C14H12BrFN2O3
| Molecular Formula | C14H12BrFN2O3 |
|---|---|
| Molecular Weight | 354.00 g/mol |
| LogP | 4.1171 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.00153 |
| Heavy Atoms | 21 |
| Complexity | 679.26385 |
Chemical Identifiers
| CAS Number | 306730-60-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)CNC2=CC(=C(C=C2)F)[N+](=O)[O-] |
Product Overview
N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline (CAS 306730-60-9), with molecular formula C14H12BrFN2O3 and molecular weight 354.00 g/mol. IUPAC: N-[(5-bromo-2-methoxyphenyl)methyl]-4-fluoro-3-nitroaniline.
Chemical Property Profile of N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline
Property Insights of N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline
The XLogP value of 4.1171 indicates that N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline. Following Lipinski's Rule of Five, N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline has 1 hydrogen bond donor(s) and 4 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 N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline?
The CAS number of N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline is 306730-60-9.
What is the molecular formula of N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline?
The molecular formula of N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline is C14H12BrFN2O3.
What is the molecular weight of N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline?
The molecular weight of N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline is 354.00 g/mol.
Where can I buy N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline?
You can request a quote for N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(5-bromo-2-methoxybenzyl)-4-fluoro-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.