N-(2-methylbenzyl)-3-nitroaniline
TL;DR: N-(2-methylbenzyl)-3-nitroaniline (CAS 838876-30-5) is a chemical compound with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-methylphenyl)methyl]-3-nitroaniline
Also Known As: N-(2-methylbenzyl)-3-nitroaniline, (2-methylbenzyl)(3-nitrophenyl)amine, UPCMLD0ENAT5661279:001, N-[(2-methylphenyl)methyl]-3-nitroaniline
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 3.51532 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 567.2254 |
Chemical Identifiers
| CAS Number | 838876-30-5 |
|---|---|
| SMILES | CC1=CC=CC=C1CNC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
N-(2-methylbenzyl)-3-nitroaniline (CAS 838876-30-5), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: N-[(2-methylphenyl)methyl]-3-nitroaniline.
Chemical Property Profile of N-(2-methylbenzyl)-3-nitroaniline
Property Insights of N-(2-methylbenzyl)-3-nitroaniline
The XLogP value of 3.51532 indicates that N-(2-methylbenzyl)-3-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, N-(2-methylbenzyl)-3-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-methylbenzyl)-3-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 N-(2-methylbenzyl)-3-nitroaniline?
The CAS number of N-(2-methylbenzyl)-3-nitroaniline is 838876-30-5.
What is the molecular formula of N-(2-methylbenzyl)-3-nitroaniline?
The molecular formula of N-(2-methylbenzyl)-3-nitroaniline is C14H14N2O2.
What is the molecular weight of N-(2-methylbenzyl)-3-nitroaniline?
The molecular weight of N-(2-methylbenzyl)-3-nitroaniline is 242.11 g/mol.
Where can I buy N-(2-methylbenzyl)-3-nitroaniline?
You can request a quote for N-(2-methylbenzyl)-3-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methylbenzyl)-3-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methylbenzyl)-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.