Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
TL;DR: Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- (CAS 88-76-6) 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.
4-chloro-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
Also Known As: Chloropyrazolic Acid 5, 4-Chloro-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid, 4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid, 1-(2'-Chloro-5'-sulfophenyl)-3-methyl-5-pyrazolone, 1-(2-Chloro-5-sulfophenyl)-3-methyl-5-pyrazolone
| 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 | 88-76-6 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)O)Cl |
| InChIKey | UWLNKHDLVZEYKQ-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- (CAS 88-76-6), with molecular formula C10H9ClN2O4S and molecular weight 288.00 g/mol. IUPAC: 4-chloro-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
Property Insights of Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- 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 Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-?
The CAS number of Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- is 88-76-6.
What is the molecular formula of Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-?
The molecular formula of Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- is C10H9ClN2O4S.
What is the molecular weight of Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-?
The molecular weight of Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- is 288.00 g/mol.
Where can I buy Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-?
You can request a quote for Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.