Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate
TL;DR: Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate (CAS 84696-58-2) is a chemical compound with molecular formula C19H15CaN2O7S+ and molecular weight 455.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 2-[(3-carboxy-2-hydroxynaphthalen-1-yl)diazenyl]-5-ethoxybenzenesulfonate
Also Known As: Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate, 2-Naphthalenecarboxylic acid, 4-((4-ethoxy-2-sulfophenyl)azo)-3-hydroxy-, calcium salt, 2-Naphthalenecarboxylic acid, 4-[(4-ethoxy-2-sulfophenyl)azo]-3-hydroxy-, calcium salt, Calcium 4-[(4-ethoxy-2-sulfonatophenyl)azo]-3-hydroxy-2-naphthoate, 2-Naphthalenecarboxylic acid, 4-(2-(4-ethoxy-2-sulfophenyl)diazenyl)-3-hydroxy-, calcium salt (1:?)
| Molecular Formula | C19H15CaN2O7S+ |
|---|---|
| Molecular Weight | 455.02 g/mol |
| LogP | 3.581 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.02258 |
| Heavy Atoms | 30 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 84696-58-2 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O)S(=O)(=O)[O-].[Ca+2] |
| InChIKey | RYLQBZRHPUVCHB-UHFFFAOYSA-M |
Product Overview
Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate (CAS 84696-58-2), with molecular formula C19H15CaN2O7S+ and molecular weight 455.02 g/mol. IUPAC: calcium 2-[(3-carboxy-2-hydroxynaphthalen-1-yl)diazenyl]-5-ethoxybenzenesulfonate.
Chemical Property Profile of Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate
Property Insights of Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate
The XLogP value of 3.581 indicates that Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate has 2 hydrogen bond donor(s) and 9 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 Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate?
The CAS number of Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate is 84696-58-2.
What is the molecular formula of Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate?
The molecular formula of Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate is C19H15CaN2O7S+.
What is the molecular weight of Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate?
The molecular weight of Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate is 455.02 g/mol.
Where can I buy Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate?
You can request a quote for Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate?
Yes, KEHONG BIO provides custom synthesis services for Calcium 4-((4-ethoxy-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.