RefChem:563721
TL;DR: RefChem:563721 (CAS 68227-56-5) is a chemical compound with molecular formula C17H16ClN5O4S and molecular weight 421.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide
Also Known As: 3-[[1-(4-CHLOROPHENYL)-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-4-YL]AZO]-4-HYDROXY-N-METHYLBENZENESULPHONAMIDE, Benzenesulfonamide, 3-((1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-hydroxy-N-methyl-, 3-((1-(4-Chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-hydroxy-N-methylbenzenesulfonamide, Benzenesulfonamide, 3-(2-(1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-4-hydroxy-N-methyl-, Benzenesulfonamide, 3-[[1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxy-N-methyl-
| Molecular Formula | C17H16ClN5O4S |
|---|---|
| Molecular Weight | 421.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.06116 |
| Heavy Atoms | 28 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 68227-56-5 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)NC)O)C3=CC=C(C=C3)Cl |
| InChIKey | DFIRHORHPXOSRI-UHFFFAOYSA-N |
Product Overview
RefChem:563721 (CAS 68227-56-5), with molecular formula C17H16ClN5O4S and molecular weight 421.06 g/mol. IUPAC: 3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide.
Chemical Property Profile of RefChem:563721
Property Insights of RefChem:563721
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:563721. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:563721. Following Lipinski's Rule of Five, RefChem:563721 has 2 hydrogen bond donor(s) and 8 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 RefChem:563721?
The CAS number of RefChem:563721 is 68227-56-5.
What is the molecular formula of RefChem:563721?
The molecular formula of RefChem:563721 is C17H16ClN5O4S.
What is the molecular weight of RefChem:563721?
The molecular weight of RefChem:563721 is 421.06 g/mol.
Where can I buy RefChem:563721?
You can request a quote for RefChem:563721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:563721?
Yes, KEHONG BIO provides custom synthesis services for RefChem:563721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.