Ammonium phenolate
TL;DR: Ammonium phenolate (CAS 5973-17-1) is a chemical compound with molecular formula C6H9NO and molecular weight 111.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium phenoxide
Also Known As: Ammonium phenolate, Phenol ammonium salt, ammonium phenoxide, ammonium phenate, azanium phenoxide
| Molecular Formula | C6H9NO |
|---|---|
| Molecular Weight | 111.07 g/mol |
| LogP | 1.14 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.06841 |
| Heavy Atoms | 8 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 5973-17-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)[O-].[NH4+] |
| InChIKey | XABJJJZIQNZSIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ammonium phenolate (CAS 5973-17-1), with molecular formula C6H9NO and molecular weight 111.07 g/mol. IUPAC: azanium phenoxide.
Chemical Property Profile of Ammonium phenolate
Property Insights of Ammonium phenolate
The XLogP value of 1.14 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium phenolate. With a topological polar surface area (TPSA) of 24.1 Ų, Ammonium phenolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium phenolate has 1 hydrogen bond donor(s) and 1 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 phenolate?
The CAS number of Ammonium phenolate is 5973-17-1.
What is the molecular formula of Ammonium phenolate?
The molecular formula of Ammonium phenolate is C6H9NO.
What is the molecular weight of Ammonium phenolate?
The molecular weight of Ammonium phenolate is 111.07 g/mol.
Where can I buy Ammonium phenolate?
You can request a quote for Ammonium phenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium phenolate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium phenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.