2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid
TL;DR: 2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid (CAS 94134-36-8) is a chemical compound with molecular formula C28H46N2O5S and molecular weight 522.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-5-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
Also Known As: EINECS 302-803-4, 2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, 1-(3-Sulfo-4-athoxy-phenyl-)-3-heptadecyl-pyrazolon-(5), 2-ethoxy-5-(3-heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid, 2-ETHOXY-5-(4,5-DIHYDRO-3-HEPTADECYL-5-OXO-1H-PYRAZOL-1-YL)BENZENESULFONIC ACID
| Molecular Formula | C28H46N2O5S |
|---|---|
| Molecular Weight | 522.31 g/mol |
| LogP | 7.6862 |
| Topological Polar Surface Area | 96.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 522.31274 |
| Heavy Atoms | 36 |
| Complexity | 929.86774 |
Chemical Identifiers
| CAS Number | 94134-36-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=CC(=C(C=C2)OCC)S(=O)(=O)O |
Product Overview
2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid (CAS 94134-36-8), with molecular formula C28H46N2O5S and molecular weight 522.31 g/mol. IUPAC: 2-ethoxy-5-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid.
Chemical Property Profile of 2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid
Property Insights of 2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid
The XLogP value of 7.6862 indicates that 2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid. Following Lipinski's Rule of Five, 2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid has 1 hydrogen bond donor(s) and 5 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-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid?
The CAS number of 2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid is 94134-36-8.
What is the molecular formula of 2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid?
The molecular formula of 2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid is C28H46N2O5S.
What is the molecular weight of 2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid?
The molecular weight of 2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid is 522.31 g/mol.
Where can I buy 2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid?
You can request a quote for 2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-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-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.