N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline
TL;DR: N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline (CAS 117574-83-1) is a chemical compound with molecular formula C13H10N4O6 and molecular weight 318.06003 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline
Also Known As: N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline, BAS 00606439, (2,4-dinitrophenyl)(2-methyl-3-nitrophenyl)amine, (2,4-Dinitro-phenyl)-(2-methyl-3-nitro-phenyl)-amine
Technical Specifications
| Molecular Formula | C13H10N4O6 |
| Molecular Weight | 318.06003 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.06003 Da |
| Heavy Atoms | 23 |
| Complexity | 471.0 |
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HSZURXFZPOTLED-UHFFFAOYSA-N |
Chemical Property Profile of N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline
Property Insights of N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline
The XLogP value of 3.9 indicates that N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline?
The CAS number of N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline is 117574-83-1.
What is the molecular formula of N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline?
The molecular formula of N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline is C13H10N4O6.
What is the molecular weight of N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline?
The molecular weight of N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline is 318.06003 g/mol.
Where can I buy N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline?
You can request a quote for N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline?
Yes, CoreyChem provides custom synthesis services for N-(2,4-dinitrophenyl)-2-methyl-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.