![(4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/4425/442569-96-2.webp)
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 442569-96-2) is a chemical compound with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-4-[N-(2,5-dimethoxyphenyl)-C-methylcarbonimidoyl]-5-methyl-1H-pyrazol-3-one
Also Known As: (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one, (Z)-1-(benzo[d]thiazol-2-yl)-4-(1-((2,5-dimethoxyphenyl)amino)ethylidene)-3-methyl-1H-pyrazol-5(4H)-one, 2-(1,3-benzothiazol-2-yl)-4-[1-(2,5-dimethoxyanilino)ethylidene]-5-methylpyrazol-3-one, (4Z)-1-(1,3-BENZOTHIAZOL-2-YL)-4-{1-[(2,5-DIMETHOXYPHENYL)AMINO]ETHYLIDENE}-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2,5-dimethoxyanilino)ethylidene]-5-methylpyrazol-3-one
| Molecular Formula | C21H20N4O3S |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 4.24162 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.1256 |
| Heavy Atoms | 29 |
| Complexity | 1249.8112 |
Chemical Identifiers
| CAS Number | 442569-96-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C(=NC4=C(C=CC(=C4)OC)OC)C |
Product Overview
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 442569-96-2), with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[N-(2,5-dimethoxyphenyl)-C-methylcarbonimidoyl]-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 4.24162 indicates that (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 6 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 (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 442569-96-2.
What is the molecular formula of (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one is C21H20N4O3S.
What is the molecular weight of (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 408.13 g/mol.
Where can I buy (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-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 (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.