1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one
TL;DR: 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one (CAS 115345-38-5) is a chemical compound with molecular formula C35H52N2O5S and molecular weight 612.3597 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3-heptadecyl-5-oxo-4-propan-2-yl-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid
Also Known As: 1-(4-PHENOXY-3-SULFOPHENYL)-3-HEPTADECYL-4-ISOPROPYL-2-PYRAZOLIN-5-ONE, 2,2-dimethyl-2H-pyrano-<2,3-c>pyridine, 5-(3-heptadecyl-5-oxo-4-propan-2-yl-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid, 5-(3-heptadecyl-4-isopropyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid, 5-(3-heptadecyl-5-oxo-4-propan-2-yl-4H-pyrazol-1-yl)-2-pheno
Technical Specifications
| Molecular Formula | C35H52N2O5S |
| Molecular Weight | 612.3597 g/mol |
| XLogP | 11.3 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 612.3597 Da |
| Heavy Atoms | 43 |
| Complexity | 925.0 |
| SMILES | CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1C(C)C)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O |
| InChIKey | APZVAVHTQKZAOL-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one
Property Insights of 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one
The XLogP value of 11.3 indicates that 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one. Following Lipinski's Rule of Five, 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one?
The CAS number of 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one is 115345-38-5.
What is the molecular formula of 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one?
The molecular formula of 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one is C35H52N2O5S.
What is the molecular weight of 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one?
The molecular weight of 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one is 612.3597 g/mol.
Where can I buy 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one?
You can request a quote for 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one?
Yes, CoreyChem provides custom synthesis services for 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.