4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one
TL;DR: 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one (CAS 82619-85-0) is a chemical compound with molecular formula C23H18N2O3S and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one
Also Known As: 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one, 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyr, 3H-pyrazol-3-one,4-(10,10-dioxido-9h-thioxanthen-9-yl)-2,4-dihydro-5-methyl-2-phenyl-, 9-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-10lambda~6~-thioxanthene-10,10(9H)-dione
| Molecular Formula | C23H18N2O3S |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.10382 |
| Heavy Atoms | 29 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 82619-85-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1C2C3=CC=CC=C3S(=O)(=O)C4=CC=CC=C24)C5=CC=CC=C5 |
| InChIKey | OEANXOWHKJOSEH-UHFFFAOYSA-N |
Product Overview
4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one (CAS 82619-85-0), with molecular formula C23H18N2O3S and molecular weight 402.10 g/mol. IUPAC: 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one
Property Insights of 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one
The XLogP value of 3.6 indicates that 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one has 0 hydrogen bond donor(s) and 4 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-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one?
The CAS number of 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one is 82619-85-0.
What is the molecular formula of 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one?
The molecular formula of 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one is C23H18N2O3S.
What is the molecular weight of 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one?
The molecular weight of 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one is 402.10 g/mol.
Where can I buy 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one?
You can request a quote for 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.