2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid
TL;DR: 2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid (CAS 3968-15-8) is a chemical compound with molecular formula C29H47N3O6S and molecular weight 565.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-5-[3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Also Known As: 2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid, 2-ethoxy-5-[3-(octadecanoylamino)-5-oxo-4,5-dihydro-1h-pyrazol-1-yl]benzenesulfonic acid, 2-ethoxy-5-[3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid, 2-ethoxy-5-(3-octadecanamido-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid, 2-Ethoxy-5-(5-oxo-3-stearamido-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
| Molecular Formula | C29H47N3O6S |
|---|---|
| Molecular Weight | 565.32 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 21 |
| Exact Mass | 565.31854 |
| Heavy Atoms | 39 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 3968-15-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)C2=CC(=C(C=C2)OCC)S(=O)(=O)O |
| InChIKey | HFDAKMRRPSYKME-UHFFFAOYSA-N |
Product Overview
2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid (CAS 3968-15-8), with molecular formula C29H47N3O6S and molecular weight 565.32 g/mol. IUPAC: 2-ethoxy-5-[3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of 2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid
Property Insights of 2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid
The XLogP value of 8.0 indicates that 2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid. Following Lipinski's Rule of Five, 2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid?
The CAS number of 2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid is 3968-15-8.
What is the molecular formula of 2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid?
The molecular formula of 2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid is C29H47N3O6S.
What is the molecular weight of 2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid?
The molecular weight of 2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid is 565.32 g/mol.
Where can I buy 2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid?
You can request a quote for 2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.