2-methyl-N-(2-methylbenzyl)-4-nitroaniline
TL;DR: 2-methyl-N-(2-methylbenzyl)-4-nitroaniline (CAS 355816-79-4) is a chemical compound with molecular formula C15H16N2O2 and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[(2-methylphenyl)methyl]-4-nitroaniline
Also Known As: 2-methyl-N-(2-methylbenzyl)-4-nitroaniline, 2-methyl-N-[(2-methylphenyl)methyl]-4-nitroaniline, BAS 01124741, AB00089799-01, (2-Methyl-benzyl)-(2-methyl-4-nitro-phenyl)-amine
| Molecular Formula | C15H16N2O2 |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 3.82374 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.1212 |
| Heavy Atoms | 19 |
| Complexity | 608.8446 |
Chemical Identifiers
| CAS Number | 355816-79-4 |
|---|---|
| SMILES | CC1=CC=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])C |
Product Overview
2-methyl-N-(2-methylbenzyl)-4-nitroaniline (CAS 355816-79-4), with molecular formula C15H16N2O2 and molecular weight 256.12 g/mol. IUPAC: 2-methyl-N-[(2-methylphenyl)methyl]-4-nitroaniline.
Chemical Property Profile of 2-methyl-N-(2-methylbenzyl)-4-nitroaniline
Property Insights of 2-methyl-N-(2-methylbenzyl)-4-nitroaniline
The XLogP value of 3.82374 indicates that 2-methyl-N-(2-methylbenzyl)-4-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, 2-methyl-N-(2-methylbenzyl)-4-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-N-(2-methylbenzyl)-4-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-methyl-N-(2-methylbenzyl)-4-nitroaniline?
The CAS number of 2-methyl-N-(2-methylbenzyl)-4-nitroaniline is 355816-79-4.
What is the molecular formula of 2-methyl-N-(2-methylbenzyl)-4-nitroaniline?
The molecular formula of 2-methyl-N-(2-methylbenzyl)-4-nitroaniline is C15H16N2O2.
What is the molecular weight of 2-methyl-N-(2-methylbenzyl)-4-nitroaniline?
The molecular weight of 2-methyl-N-(2-methylbenzyl)-4-nitroaniline is 256.12 g/mol.
Where can I buy 2-methyl-N-(2-methylbenzyl)-4-nitroaniline?
You can request a quote for 2-methyl-N-(2-methylbenzyl)-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-(2-methylbenzyl)-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-(2-methylbenzyl)-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.