![methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate structure](/static/products/5239/523992-08-7.webp)
methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate
TL;DR: methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate (CAS 523992-08-7) is a chemical compound with molecular formula C23H22N4O3S and molecular weight 434.14 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-(2-phenylethyl)carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate
Also Known As: methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate, (Z)-methyl 2-(1-(benzo[d]thiazol-2-yl)-5-oxo-4-(1-(phenethylamino)ethylidene)-4,5-dihydro-1H-pyrazol-3-yl)acetate, Methyl 2-[1-benzothiazol-2-yl-5-oxo-4-[1-(phenethylamino)ethylidene]pyrazol-3-yl]acetate, methyl 2-(1-benzothiazol-2-yl-5-oxo-4-{[(2-phenylethyl)amino]ethylidene}-1,2-d iazolin-3-yl)acetate, methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-[1-(phenethylamino)ethylidene]pyrazol-3-yl]acetate
| Molecular Formula | C23H22N4O3S |
|---|---|
| Molecular Weight | 434.14 g/mol |
| LogP | 3.5425 |
| Topological Polar Surface Area | 89.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.14127 |
| Heavy Atoms | 31 |
| Complexity | 1268.3628 |
Chemical Identifiers
| CAS Number | 523992-08-7 |
|---|---|
| SMILES | CC(=NCCC1=CC=CC=C1)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)CC(=O)OC |
Product Overview
methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate (CAS 523992-08-7), with molecular formula C23H22N4O3S and molecular weight 434.14 g/mol. IUPAC: methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate.
Chemical Property Profile of methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate
Property Insights of methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate
The XLogP value of 3.5425 indicates that methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-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 [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate. Following Lipinski's Rule of Five, methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-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 [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate?
The CAS number of methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate is 523992-08-7.
What is the molecular formula of methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate?
The molecular formula of methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate is C23H22N4O3S.
What is the molecular weight of methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate?
The molecular weight of methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate is 434.14 g/mol.
Where can I buy methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate?
You can request a quote for methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-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 [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.