2-bromo-N-methyl-5-nitroaniline
TL;DR: 2-bromo-N-methyl-5-nitroaniline (CAS 500901-49-5) is a chemical compound with molecular formula C7H7BrN2O2 and molecular weight 229.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-methyl-5-nitroaniline
Also Known As: 2-bromo-N-methyl-5-nitroaniline
| Molecular Formula | C7H7BrN2O2 |
|---|---|
| Molecular Weight | 229.97 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.96909 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 500901-49-5 |
|---|---|
| SMILES | CNC1=C(C=CC(=C1)[N+](=O)[O-])Br |
| InChIKey | MQROYKOBASWTOW-UHFFFAOYSA-N |
Product Overview
2-bromo-N-methyl-5-nitroaniline (CAS 500901-49-5), with molecular formula C7H7BrN2O2 and molecular weight 229.97 g/mol. IUPAC: 2-bromo-N-methyl-5-nitroaniline.
Chemical Property Profile of 2-bromo-N-methyl-5-nitroaniline
Property Insights of 2-bromo-N-methyl-5-nitroaniline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromo-N-methyl-5-nitroaniline. With a topological polar surface area (TPSA) of 57.9 Ų, 2-bromo-N-methyl-5-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromo-N-methyl-5-nitroaniline 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 2-bromo-N-methyl-5-nitroaniline?
The CAS number of 2-bromo-N-methyl-5-nitroaniline is 500901-49-5.
What is the molecular formula of 2-bromo-N-methyl-5-nitroaniline?
The molecular formula of 2-bromo-N-methyl-5-nitroaniline is C7H7BrN2O2.
What is the molecular weight of 2-bromo-N-methyl-5-nitroaniline?
The molecular weight of 2-bromo-N-methyl-5-nitroaniline is 229.97 g/mol.
Where can I buy 2-bromo-N-methyl-5-nitroaniline?
You can request a quote for 2-bromo-N-methyl-5-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-N-methyl-5-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-methyl-5-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.