N-Picryl-M-toluidine
TL;DR: N-Picryl-M-toluidine (CAS 16552-38-8) is a chemical compound with molecular formula C13H10N4O6 and molecular weight 318.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylphenyl)-2,4,6-trinitroaniline
Also Known As: N-Picryl-m-toluidine, Pikryl-m-tolyl-amin, Benzenamine,4,6-trinitro-, N-(3-methylphenyl)-2,4,6-trinitroaniline, 3'-Methyl-2,4,6-trinitrodiphenylamine
| Molecular Formula | C13H10N4O6 |
|---|---|
| Molecular Weight | 318.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.06003 |
| Heavy Atoms | 23 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 16552-38-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ZUENYUGGLWYBTO-UHFFFAOYSA-N |
Product Overview
N-Picryl-M-toluidine (CAS 16552-38-8), with molecular formula C13H10N4O6 and molecular weight 318.06 g/mol. IUPAC: N-(3-methylphenyl)-2,4,6-trinitroaniline.
Chemical Property Profile of N-Picryl-M-toluidine
Property Insights of N-Picryl-M-toluidine
The XLogP value of 3.9 indicates that N-Picryl-M-toluidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting N-Picryl-M-toluidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Picryl-M-toluidine 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-Picryl-M-toluidine?
The CAS number of N-Picryl-M-toluidine is 16552-38-8.
What is the molecular formula of N-Picryl-M-toluidine?
The molecular formula of N-Picryl-M-toluidine is C13H10N4O6.
What is the molecular weight of N-Picryl-M-toluidine?
The molecular weight of N-Picryl-M-toluidine is 318.06 g/mol.
Where can I buy N-Picryl-M-toluidine?
You can request a quote for N-Picryl-M-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Picryl-M-toluidine?
Yes, KEHONG BIO provides custom synthesis services for N-Picryl-M-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.