4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid
TL;DR: 4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid (CAS 51929-92-1) is a chemical compound with molecular formula C27H44N2O4S and molecular weight 492.3022 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-heptadecyl-4-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
Also Known As: 4-(3-HEPTADECYL-4,5-DIHYDRO-4-METHYL-5-OXO-1H-PYRAZOL-1-YL)BENZENESULFONIC ACID, 4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, 4-(3-heptadecyl-4-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid, 3-Heptadecyl-4-methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one, 4-(3-Heptadecyl-4-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid
Technical Specifications
| Molecular Formula | C27H44N2O4S |
| Molecular Weight | 492.3022 g/mol |
| XLogP | 9.0 |
| Topological Polar Surface Area (TPSA) | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 492.3022 Da |
| Heavy Atoms | 34 |
| Complexity | 709.0 |
| SMILES | CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1C)C2=CC=C(C=C2)S(=O)(=O)O |
| InChIKey | FYPRBIXLZLEHLW-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid
Property Insights of 4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid
The XLogP value of 9.0 indicates that 4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid. Following Lipinski's Rule of Five, 4-(3-Heptadecyl-4,5-dihydro-4-methyl-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
What is the CAS number of 4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid?
The CAS number of 4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid is 51929-92-1.
What is the molecular formula of 4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid?
The molecular formula of 4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid is C27H44N2O4S.
What is the molecular weight of 4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid?
The molecular weight of 4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid is 492.3022 g/mol.
Where can I buy 4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid?
You can request a quote for 4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid?
Yes, CoreyChem provides custom synthesis services for 4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.