3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
TL;DR: 3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS 66064-11-7) is a chemical compound with molecular formula C10H9ClN2O4S and molecular weight 288.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
Also Known As: 1,4-Diacetylaminoanthraquinone, 3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid, 3-chloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid, BAS 00127990, 3-Chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid
| Molecular Formula | C10H9ClN2O4S |
|---|---|
| Molecular Weight | 288.00 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.99716 |
| Heavy Atoms | 18 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 66064-11-7 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=C(C=C(C=C2)S(=O)(=O)O)Cl |
| InChIKey | QZFQLZZNYXSEQR-UHFFFAOYSA-N |
Product Overview
3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS 66064-11-7), with molecular formula C10H9ClN2O4S and molecular weight 288.00 g/mol. IUPAC: 3-chloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid.
Chemical Property Profile of 3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
Property Insights of 3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid. Following Lipinski's Rule of Five, 3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic 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
Frequently Asked Questions
What is the CAS number of 3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
The CAS number of 3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid is 66064-11-7.
What is the molecular formula of 3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
The molecular formula of 3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid is C10H9ClN2O4S.
What is the molecular weight of 3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
The molecular weight of 3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid is 288.00 g/mol.
Where can I buy 3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
You can request a quote for 3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.