2-Amino-N-(4'-methylphenyl)-4-nitroaniline
TL;DR: 2-Amino-N-(4'-methylphenyl)-4-nitroaniline (CAS 78316-35-5) is a chemical compound with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-(4-methylphenyl)-4-nitrobenzene-1,2-diamine
Also Known As: 4-nitro-N1-p-tolyl-o-phenylenediamine, 2-Amino-N-(4'-methylphenyl)-4-nitroaniline, N1-p-Tolyl-4-nitro-phenylendiamin-(1.2), 1-N-(4-methylphenyl)-4-nitrobenzene-1,2-diamine
| Molecular Formula | C13H13N3O2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 3.22902 |
| Topological Polar Surface Area | 81.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.10077 |
| Heavy Atoms | 18 |
| Complexity | 579.2903 |
Chemical Identifiers
| CAS Number | 78316-35-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])N |
Product Overview
2-Amino-N-(4'-methylphenyl)-4-nitroaniline (CAS 78316-35-5), with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol. IUPAC: 1-N-(4-methylphenyl)-4-nitrobenzene-1,2-diamine.
Chemical Property Profile of 2-Amino-N-(4'-methylphenyl)-4-nitroaniline
Property Insights of 2-Amino-N-(4'-methylphenyl)-4-nitroaniline
The XLogP value of 3.22902 indicates that 2-Amino-N-(4'-methylphenyl)-4-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-N-(4'-methylphenyl)-4-nitroaniline. Following Lipinski's Rule of Five, 2-Amino-N-(4'-methylphenyl)-4-nitroaniline has 2 hydrogen bond donor(s) and 4 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-Amino-N-(4'-methylphenyl)-4-nitroaniline?
The CAS number of 2-Amino-N-(4'-methylphenyl)-4-nitroaniline is 78316-35-5.
What is the molecular formula of 2-Amino-N-(4'-methylphenyl)-4-nitroaniline?
The molecular formula of 2-Amino-N-(4'-methylphenyl)-4-nitroaniline is C13H13N3O2.
What is the molecular weight of 2-Amino-N-(4'-methylphenyl)-4-nitroaniline?
The molecular weight of 2-Amino-N-(4'-methylphenyl)-4-nitroaniline is 243.10 g/mol.
Where can I buy 2-Amino-N-(4'-methylphenyl)-4-nitroaniline?
You can request a quote for 2-Amino-N-(4'-methylphenyl)-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-Amino-N-(4'-methylphenyl)-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-N-(4'-methylphenyl)-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.