Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate
TL;DR: Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate (CAS 66967-84-8) is a chemical compound with molecular formula C17H20N4O8 and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-hydroxyphenyl)ethyl-trimethylazanium;2,4,6-trinitrophenolate
Also Known As: Leptodactyline picrate, (m-Hydroxyphenethyl)trimethylammonium picrate, AMMONIUM, (m-HYDROXYPHENETHYL)TRIMETHYL-, PICRATE, 3-Hydroxy-N,N,N-trimethylbenzeneethanaminium picrate, 2-(3-hydroxyphenyl)ethyl-trimethylazanium; 2,4,6-trinitrophenolate
| Molecular Formula | C17H20N4O8 |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 2.13 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.1281 |
| Heavy Atoms | 29 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 66967-84-8 |
|---|---|
| SMILES | C[N+](C)(C)CCC1=CC(=CC=C1)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NNVZZYJYVSWIKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate (CAS 66967-84-8), with molecular formula C17H20N4O8 and molecular weight 408.13 g/mol. IUPAC: 2-(3-hydroxyphenyl)ethyl-trimethylazanium;2,4,6-trinitrophenolate.
Chemical Property Profile of Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate
Property Insights of Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate
The XLogP value of 2.13 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate. The TPSA of 181.0 Ų indicates high polarity, suggesting Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate 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 Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate?
The CAS number of Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate is 66967-84-8.
What is the molecular formula of Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate?
The molecular formula of Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate is C17H20N4O8.
What is the molecular weight of Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate?
The molecular weight of Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate is 408.13 g/mol.
Where can I buy Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate?
You can request a quote for Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (m-hydroxyphenethyl)trimethyl-, picrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.