![4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline structure](/static/products/3314/331459-72-4.webp)
4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline
TL;DR: 4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline (CAS 331459-72-4) is a chemical compound with molecular formula C14H13BrN2O3 and molecular weight 336.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline
Also Known As: 4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline, 4-bromo-N-(4-methoxy-3-nitrobenzyl)aniline, AA-768/30961036, 4-bromo-N-[(4-methoxy-3-nitro-phenyl)methyl]aniline, (4-bromophenyl)[(4-methoxy-3-nitrophenyl)methyl]amine
| Molecular Formula | C14H13BrN2O3 |
|---|---|
| Molecular Weight | 336.01 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.01096 |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 331459-72-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC2=CC=C(C=C2)Br)[N+](=O)[O-] |
| InChIKey | WYJARWFFJBACTJ-UHFFFAOYSA-N |
Product Overview
4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline (CAS 331459-72-4), with molecular formula C14H13BrN2O3 and molecular weight 336.01 g/mol. IUPAC: 4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline.
Chemical Property Profile of 4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline
Property Insights of 4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline
The XLogP value of 3.9 indicates that 4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline. Following Lipinski's Rule of Five, 4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline 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 4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline?
The CAS number of 4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline is 331459-72-4.
What is the molecular formula of 4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline?
The molecular formula of 4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline is C14H13BrN2O3.
What is the molecular weight of 4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline?
The molecular weight of 4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline is 336.01 g/mol.
Where can I buy 4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline?
You can request a quote for 4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline 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-methoxy-3-nitrophenyl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-[(4-methoxy-3-nitrophenyl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.