4-bromo-N-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline
TL;DR: 4-bromo-N-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline (CAS 355814-40-3) is a chemical compound with molecular formula C16H17BrN2O4 and molecular weight 380.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-3-methylaniline
Also Known As: 4-bromo-N-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline, 4-bromo-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-3-methylaniline, N-(4-BROMO-3-METHYLPHENYL)-N-(4,5-DIMETHOXY-2-NITROBENZYL)AMINE
| Molecular Formula | C16H17BrN2O4 |
|---|---|
| Molecular Weight | 380.04 g/mol |
| LogP | 4.29502 |
| Topological Polar Surface Area | 73.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.03717 |
| Heavy Atoms | 23 |
| Complexity | 734.26044 |
Chemical Identifiers
| CAS Number | 355814-40-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)Br |
Product Overview
4-bromo-N-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline (CAS 355814-40-3), with molecular formula C16H17BrN2O4 and molecular weight 380.04 g/mol. IUPAC: 4-bromo-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-3-methylaniline.
Chemical Property Profile of 4-bromo-N-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline
Property Insights of 4-bromo-N-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline
The XLogP value of 4.29502 indicates that 4-bromo-N-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline. Following Lipinski's Rule of Five, 4-bromo-N-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline has 1 hydrogen bond donor(s) and 5 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-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline?
The CAS number of 4-bromo-N-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline is 355814-40-3.
What is the molecular formula of 4-bromo-N-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline?
The molecular formula of 4-bromo-N-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline is C16H17BrN2O4.
What is the molecular weight of 4-bromo-N-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline?
The molecular weight of 4-bromo-N-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline is 380.04 g/mol.
Where can I buy 4-bromo-N-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline?
You can request a quote for 4-bromo-N-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline 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-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(4,5-dimethoxy-2-nitrobenzyl)-3-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.