N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline
TL;DR: N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline (CAS 304667-83-2) is a chemical compound with molecular formula C13H10BrN3O4 and molecular weight 350.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(2,4-dinitrophenyl)-4-methylaniline
Also Known As: N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline, 3-bromo-N-(2,4-dinitrophenyl)-4-methylaniline, BAS 00606416, (2,4-dinitrophenyl)(3-bromo-4-methylphenyl)amine, AN-329/11627212
| Molecular Formula | C13H10BrN3O4 |
|---|---|
| Molecular Weight | 350.99 g/mol |
| LogP | 4.31752 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.98547 |
| Heavy Atoms | 21 |
| Complexity | 733.35144 |
Chemical Identifiers
| CAS Number | 304667-83-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Br |
Product Overview
N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline (CAS 304667-83-2), with molecular formula C13H10BrN3O4 and molecular weight 350.99 g/mol. IUPAC: 3-bromo-N-(2,4-dinitrophenyl)-4-methylaniline.
Chemical Property Profile of N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline
Property Insights of N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline
The XLogP value of 4.31752 indicates that N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline 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 N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline?
The CAS number of N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline is 304667-83-2.
What is the molecular formula of N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline?
The molecular formula of N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline is C13H10BrN3O4.
What is the molecular weight of N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline?
The molecular weight of N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline is 350.99 g/mol.
Where can I buy N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline?
You can request a quote for N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromo-4-methylphenyl)-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.