![methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate structure](/static/products/5158/515875-11-3.webp)
methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
TL;DR: methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate (CAS 515875-11-3) is a chemical compound with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate
Also Known As: methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate, (E)-methyl 2-(1-(benzo[d]thiazol-2-yl)-5-oxo-4-(1-(p-tolylamino)ethylidene)-4,5-dihydro-1H-pyrazol-3-yl)acetate, methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate, methyl 2-(1-benzothiazol-2-yl-4-{[(4-methylphenyl)amino]ethylidene}-5-oxo-1,2- diazolin-3-yl)acetate, methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methylanilino)ethylidene]-5-oxopyrazol-3-yl]acetate
| Molecular Formula | C22H20N4O3S |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 3.93992 |
| Topological Polar Surface Area | 89.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.1256 |
| Heavy Atoms | 30 |
| Complexity | 1279.4098 |
Chemical Identifiers
| CAS Number | 515875-11-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N=C(C)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)CC(=O)OC |
Product Overview
methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate (CAS 515875-11-3), with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol. IUPAC: methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate.
Chemical Property Profile of methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
Property Insights of methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
The XLogP value of 3.93992 indicates that methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.34 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate. Following Lipinski's Rule of Five, methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate 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 methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate?
The CAS number of methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate is 515875-11-3.
What is the molecular formula of methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate?
The molecular formula of methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate is C22H20N4O3S.
What is the molecular weight of methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate?
The molecular weight of methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate is 420.13 g/mol.
Where can I buy methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate?
You can request a quote for methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.