Ammonium phenolsulfonate
TL;DR: Ammonium phenolsulfonate (CAS 130246-99-0) is a chemical compound with molecular formula C6H9NO4S and molecular weight 191.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 2-hydroxybenzenesulfonate
Also Known As: Ammonium o-phenolsulfonate, Ammonium phenolsulfonate, Ammonium sulfocarbolate, Ammonium hydroxybenzenesulphonate, azanium;2-hydroxybenzenesulfonate
| Molecular Formula | C6H9NO4S |
|---|---|
| Molecular Weight | 191.03 g/mol |
| LogP | 0.6725 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.02522 |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 130246-99-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)O)S(=O)(=O)[O-].[NH4+] |
| InChIKey | UAHUSJDFWAEKNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ammonium phenolsulfonate (CAS 130246-99-0), with molecular formula C6H9NO4S and molecular weight 191.03 g/mol. IUPAC: azanium 2-hydroxybenzenesulfonate.
Chemical Property Profile of Ammonium phenolsulfonate
Property Insights of Ammonium phenolsulfonate
The XLogP value of 0.6725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium phenolsulfonate. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium phenolsulfonate. Following Lipinski's Rule of Five, Ammonium phenolsulfonate has 2 hydrogen bond donor(s) and 4 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 phenolsulfonate?
The CAS number of Ammonium phenolsulfonate is 130246-99-0.
What is the molecular formula of Ammonium phenolsulfonate?
The molecular formula of Ammonium phenolsulfonate is C6H9NO4S.
What is the molecular weight of Ammonium phenolsulfonate?
The molecular weight of Ammonium phenolsulfonate is 191.03 g/mol.
Where can I buy Ammonium phenolsulfonate?
You can request a quote for Ammonium phenolsulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium phenolsulfonate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium phenolsulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.