4-bromo-N-(3-nitrobenzyl)aniline
TL;DR: 4-bromo-N-(3-nitrobenzyl)aniline (CAS 211366-80-2) is a chemical compound with molecular formula C13H11BrN2O2 and molecular weight 306.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(3-nitrophenyl)methyl]aniline
Also Known As: 4-bromo-N-(3-nitrobenzyl)aniline, 4-bromo-N-[(3-nitrophenyl)methyl]aniline, BAS 01839792, (4-Bromo-phenyl)-(3-nitro-benzyl)-amine, (4-bromophenyl)[(3-nitrophenyl)methyl]amine
| Molecular Formula | C13H11BrN2O2 |
|---|---|
| Molecular Weight | 306.00 g/mol |
| LogP | 3.9694 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.0004 |
| Heavy Atoms | 18 |
| Complexity | 555.1726 |
Chemical Identifiers
| CAS Number | 211366-80-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=CC=C(C=C2)Br |
Product Overview
4-bromo-N-(3-nitrobenzyl)aniline (CAS 211366-80-2), with molecular formula C13H11BrN2O2 and molecular weight 306.00 g/mol. IUPAC: 4-bromo-N-[(3-nitrophenyl)methyl]aniline.
Chemical Property Profile of 4-bromo-N-(3-nitrobenzyl)aniline
Property Insights of 4-bromo-N-(3-nitrobenzyl)aniline
The XLogP value of 3.9694 indicates that 4-bromo-N-(3-nitrobenzyl)aniline 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-(3-nitrobenzyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(3-nitrobenzyl)aniline 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-(3-nitrobenzyl)aniline?
The CAS number of 4-bromo-N-(3-nitrobenzyl)aniline is 211366-80-2.
What is the molecular formula of 4-bromo-N-(3-nitrobenzyl)aniline?
The molecular formula of 4-bromo-N-(3-nitrobenzyl)aniline is C13H11BrN2O2.
What is the molecular weight of 4-bromo-N-(3-nitrobenzyl)aniline?
The molecular weight of 4-bromo-N-(3-nitrobenzyl)aniline is 306.00 g/mol.
Where can I buy 4-bromo-N-(3-nitrobenzyl)aniline?
You can request a quote for 4-bromo-N-(3-nitrobenzyl)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-(3-nitrobenzyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(3-nitrobenzyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.