N-(2-fluorobenzyl)-2-methoxy-5-nitroaniline
TL;DR: N-(2-fluorobenzyl)-2-methoxy-5-nitroaniline (CAS 332107-99-0) is a chemical compound with molecular formula C14H13FN2O3 and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-fluorophenyl)methyl]-2-methoxy-5-nitroaniline
Also Known As: N-(2-fluorobenzyl)-2-methoxy-5-nitroaniline, BAS 01125009, AB00089814-01, N-[(2-fluorophenyl)methyl]-2-methoxy-5-nitroaniline, (2-Fluoro-benzyl)-(2-methoxy-5-nitro-phenyl)-amine
| Molecular Formula | C14H13FN2O3 |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 3.3546 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.09103 |
| Heavy Atoms | 20 |
| Complexity | 631.5661 |
Chemical Identifiers
| CAS Number | 332107-99-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC=CC=C2F |
Product Overview
N-(2-fluorobenzyl)-2-methoxy-5-nitroaniline (CAS 332107-99-0), with molecular formula C14H13FN2O3 and molecular weight 276.09 g/mol. IUPAC: N-[(2-fluorophenyl)methyl]-2-methoxy-5-nitroaniline.
Chemical Property Profile of N-(2-fluorobenzyl)-2-methoxy-5-nitroaniline
Property Insights of N-(2-fluorobenzyl)-2-methoxy-5-nitroaniline
The XLogP value of 3.3546 indicates that N-(2-fluorobenzyl)-2-methoxy-5-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-(2-fluorobenzyl)-2-methoxy-5-nitroaniline. Following Lipinski's Rule of Five, N-(2-fluorobenzyl)-2-methoxy-5-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-(2-fluorobenzyl)-2-methoxy-5-nitroaniline?
The CAS number of N-(2-fluorobenzyl)-2-methoxy-5-nitroaniline is 332107-99-0.
What is the molecular formula of N-(2-fluorobenzyl)-2-methoxy-5-nitroaniline?
The molecular formula of N-(2-fluorobenzyl)-2-methoxy-5-nitroaniline is C14H13FN2O3.
What is the molecular weight of N-(2-fluorobenzyl)-2-methoxy-5-nitroaniline?
The molecular weight of N-(2-fluorobenzyl)-2-methoxy-5-nitroaniline is 276.09 g/mol.
Where can I buy N-(2-fluorobenzyl)-2-methoxy-5-nitroaniline?
You can request a quote for N-(2-fluorobenzyl)-2-methoxy-5-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-fluorobenzyl)-2-methoxy-5-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-fluorobenzyl)-2-methoxy-5-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.