![2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline structure](/static/products/4187/418787-87-8.webp)
2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline
TL;DR: 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline (CAS 418787-87-8) is a chemical compound with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline
Also Known As: BAS 01124813, 2-methyl-4-nitro-N-(2-nitrobenzyl)aniline, 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline, (2-Methyl-4-nitro-phenyl)-(2-nitro-benzyl)-amine, (2-methyl-4-nitro-phenyl)-(2-nitrobenzyl)amine;oxalic acid
| Molecular Formula | C14H13N3O4 |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 3.42352 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.0906 |
| Heavy Atoms | 21 |
| Complexity | 700.3685 |
Chemical Identifiers
| CAS Number | 418787-87-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline (CAS 418787-87-8), with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol. IUPAC: 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline.
Chemical Property Profile of 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline
Property Insights of 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline
The XLogP value of 3.42352 indicates that 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline 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 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline. Following Lipinski's Rule of Five, 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline 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 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline?
The CAS number of 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline is 418787-87-8.
What is the molecular formula of 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline?
The molecular formula of 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline is C14H13N3O4.
What is the molecular weight of 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline?
The molecular weight of 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline is 287.09 g/mol.
Where can I buy 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline?
You can request a quote for 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-4-nitro-N-[(2-nitrophenyl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.