1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol
TL;DR: 1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol (CAS 20419-68-5) is a chemical compound with molecular formula C17H18N4O7 and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol
Also Known As: 2,4,6-trinitrophenol- 1-methyl-2-phenylpyrrolidine(1:1), 1-methyl-2-phenylpyrrolidine,2,4,6-trinitrophenol, 1-methyl-2-phenylpyrrolidine; 2,4,6-trinitrophenol, 1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol, 2,4,6-Trinitrophenol--1-methyl-2-phenylpyrrolidine (1/1)
| Molecular Formula | C17H18N4O7 |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | 3.5701 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 390.11755 |
| Heavy Atoms | 28 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 20419-68-5 |
|---|---|
| SMILES | CN1CCCC1C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LTVMRNJKIJVQCD-UHFFFAOYSA-N |
Product Overview
1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol (CAS 20419-68-5), with molecular formula C17H18N4O7 and molecular weight 390.12 g/mol. IUPAC: 1-methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol.
Chemical Property Profile of 1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol
Property Insights of 1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol
The XLogP value of 3.5701 indicates that 1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting 1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol has 1 hydrogen bond donor(s) and 8 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 1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol?
The CAS number of 1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol is 20419-68-5.
What is the molecular formula of 1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol?
The molecular formula of 1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol is C17H18N4O7.
What is the molecular weight of 1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol?
The molecular weight of 1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol is 390.12 g/mol.
Where can I buy 1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol?
You can request a quote for 1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-phenylpyrrolidine;2,4,6-trinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.