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 612.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C35H52N2O5S |
|---|---|
| Molecular Weight | 612.36 g/mol |
| LogP | 9.9619 |
| Topological Polar Surface Area | 96.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 21 |
| Exact Mass | 612.3597 |
| Heavy Atoms | 43 |
| Complexity | 1260.2491 |
Chemical Identifiers
| CAS Number | 115345-38-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1C(C)C)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O |
Product Overview
1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one (CAS 115345-38-5), with molecular formula C35H52N2O5S and molecular weight 612.36 g/mol. IUPAC: 5-(3-heptadecyl-5-oxo-4-propan-2-yl-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid.
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 9.9619 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 96.27 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 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 612.36 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Phenoxy-3-sulfophenyl)-3-heptadecyl-4-isopropyl-2-pyrazolin-5-one?
Yes, KEHONG BIO 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.