5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid
TL;DR: 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid (CAS 6387-17-3) is a chemical compound with molecular formula C11H11ClN2O4S and molecular weight 302.01282 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-5-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
Also Known As: 5-chloro-6- toluene-3-sulphonicacid, 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid, 3-chloro-5-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid, 3-Chloro-5-methyl-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid, 387C173
Technical Specifications
| Molecular Formula | C11H11ClN2O4S |
| Molecular Weight | 302.01282 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.01282 Da |
| Heavy Atoms | 19 |
| Complexity | 513.0 |
| SMILES | CC1=NN(C(=O)C1)C2=C(C=C(C=C2C)S(=O)(=O)O)Cl |
| InChIKey | QENFKLWBWWDGLL-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid
Property Insights of 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid. Following Lipinski's Rule of Five, 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid?
The CAS number of 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid is 6387-17-3.
What is the molecular formula of 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid?
The molecular formula of 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid is C11H11ClN2O4S.
What is the molecular weight of 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid?
The molecular weight of 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid is 302.01282 g/mol.
Where can I buy 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid?
You can request a quote for 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.