4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid
TL;DR: 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid (CAS 30697-37-1) is a chemical compound with molecular formula C16H12Cl2N4O4S and molecular weight 426.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
Also Known As: 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid, 4-Chloro-3-[[[1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-4-yl]azo]benzenesulfonic acid, 4-chloro-3-{(e)-[1-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonic acid, 4-Chloro-3-{[1-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzene-1-sulfonic acid, 4-chloro-3-{2-[1-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazen-1-yl}benzene-1-sulfonic acid
| Molecular Formula | C16H12Cl2N4O4S |
|---|---|
| Molecular Weight | 426.00 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.99564 |
| Heavy Atoms | 27 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 30697-37-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)O)Cl)C3=CC=C(C=C3)Cl |
| InChIKey | SVYADQBCBQONGJ-UHFFFAOYSA-N |
Product Overview
4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid (CAS 30697-37-1), with molecular formula C16H12Cl2N4O4S and molecular weight 426.00 g/mol. IUPAC: 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid.
Chemical Property Profile of 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid
Property Insights of 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid
The XLogP value of 3.3 indicates that 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid. Following Lipinski's Rule of Five, 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid has 1 hydrogen bond donor(s) and 7 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 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid?
The CAS number of 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid is 30697-37-1.
What is the molecular formula of 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid?
The molecular formula of 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid is C16H12Cl2N4O4S.
What is the molecular weight of 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid?
The molecular weight of 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid is 426.00 g/mol.
Where can I buy 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid?
You can request a quote for 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.