4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one
TL;DR: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one (CAS 309923-58-8) is a chemical compound with molecular formula C18H13N3O2S and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one
Also Known As: BAS 01849571, BIM-0042787.P001, 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, A2276/0095912
| Molecular Formula | C18H13N3O2S |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 3.6449 |
| Topological Polar Surface Area | 67.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.07285 |
| Heavy Atoms | 24 |
| Complexity | 1073.209 |
Chemical Identifiers
| CAS Number | 309923-58-8 |
|---|---|
| SMILES | CC(=O)C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4 |
Product Overview
4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one (CAS 309923-58-8), with molecular formula C18H13N3O2S and molecular weight 335.07 g/mol. IUPAC: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one
Property Insights of 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one
The XLogP value of 3.6449 indicates that 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one has 1 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-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one?
The CAS number of 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one is 309923-58-8.
What is the molecular formula of 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one?
The molecular formula of 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one is C18H13N3O2S.
What is the molecular weight of 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one?
The molecular weight of 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one is 335.07 g/mol.
Where can I buy 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one?
You can request a quote for 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-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-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.