N-(4-Chloro-ortho-tolyl)-picrylamine
TL;DR: N-(4-Chloro-ortho-tolyl)-picrylamine (CAS 199803-22-0) is a chemical compound with molecular formula C13H9ClN4O6 and molecular weight 352.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methylphenyl)-2,4,6-trinitroaniline
Also Known As: N-(4-CHLORO-ORTHO-TOLYL)-PICRYLAMINE, N-(4-chloro-2-methylphenyl)-2,4,6-trinitroaniline
| Molecular Formula | C13H9ClN4O6 |
|---|---|
| Molecular Weight | 352.02 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.02106 |
| Heavy Atoms | 24 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 199803-22-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KGGWHKRCNYFILL-UHFFFAOYSA-N |
Product Overview
N-(4-Chloro-ortho-tolyl)-picrylamine (CAS 199803-22-0), with molecular formula C13H9ClN4O6 and molecular weight 352.02 g/mol. IUPAC: N-(4-chloro-2-methylphenyl)-2,4,6-trinitroaniline.
Chemical Property Profile of N-(4-Chloro-ortho-tolyl)-picrylamine
Property Insights of N-(4-Chloro-ortho-tolyl)-picrylamine
The XLogP value of 4.5 indicates that N-(4-Chloro-ortho-tolyl)-picrylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting N-(4-Chloro-ortho-tolyl)-picrylamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-Chloro-ortho-tolyl)-picrylamine 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
Frequently Asked Questions
What is the CAS number of N-(4-Chloro-ortho-tolyl)-picrylamine?
The CAS number of N-(4-Chloro-ortho-tolyl)-picrylamine is 199803-22-0.
What is the molecular formula of N-(4-Chloro-ortho-tolyl)-picrylamine?
The molecular formula of N-(4-Chloro-ortho-tolyl)-picrylamine is C13H9ClN4O6.
What is the molecular weight of N-(4-Chloro-ortho-tolyl)-picrylamine?
The molecular weight of N-(4-Chloro-ortho-tolyl)-picrylamine is 352.02 g/mol.
Where can I buy N-(4-Chloro-ortho-tolyl)-picrylamine?
You can request a quote for N-(4-Chloro-ortho-tolyl)-picrylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Chloro-ortho-tolyl)-picrylamine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chloro-ortho-tolyl)-picrylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.