5-Bromo-4-methyl-2-nitroaniline
TL;DR: 5-Bromo-4-methyl-2-nitroaniline (CAS 40371-63-9) 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.
5-bromo-4-methyl-2-nitroaniline
Also Known As: 5-bromo-4-methyl-2-nitroaniline, Benzenamine, 5-bromo-4-methyl-2-nitro-, 5-bromo-4-methyl-2-nitro-aniline, B-2614, I14-24764
| Molecular Formula | C7H7BrN2O2 |
|---|---|
| Molecular Weight | 229.97 g/mol |
| LogP | 2.24792 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.96909 |
| Heavy Atoms | 12 |
| Complexity | 338.4234 |
Chemical Identifiers
| CAS Number | 40371-63-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Br)N)[N+](=O)[O-] |
Product Overview
5-Bromo-4-methyl-2-nitroaniline (CAS 40371-63-9), with molecular formula C7H7BrN2O2 and molecular weight 229.97 g/mol. IUPAC: 5-bromo-4-methyl-2-nitroaniline.
Chemical Property Profile of 5-Bromo-4-methyl-2-nitroaniline
Property Insights of 5-Bromo-4-methyl-2-nitroaniline
The XLogP value of 2.24792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-4-methyl-2-nitroaniline. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-4-methyl-2-nitroaniline. Following Lipinski's Rule of Five, 5-Bromo-4-methyl-2-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 5-Bromo-4-methyl-2-nitroaniline?
The CAS number of 5-Bromo-4-methyl-2-nitroaniline is 40371-63-9.
What is the molecular formula of 5-Bromo-4-methyl-2-nitroaniline?
The molecular formula of 5-Bromo-4-methyl-2-nitroaniline is C7H7BrN2O2.
What is the molecular weight of 5-Bromo-4-methyl-2-nitroaniline?
The molecular weight of 5-Bromo-4-methyl-2-nitroaniline is 229.97 g/mol.
Where can I buy 5-Bromo-4-methyl-2-nitroaniline?
You can request a quote for 5-Bromo-4-methyl-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-4-methyl-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-4-methyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.