![Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate structure](/static/products/3781/378198-17-5.webp)
Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate
TL;DR: Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate (CAS 378198-17-5) is a chemical compound with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]acetate
Also Known As: Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate, ethyl 2-[1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxopyrazol-4-ylidene]ethylamino]acetate, ethyl 2-{[(1-benzothiazol-2-yl-3-methyl-5-oxo-1,2-diazolin-4-ylidene)ethyl]ami no}acetate, (E)-ethyl 2-((1-(1-(benzo[d]thiazol-2-yl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)acetate, ethyl 2-[[(1E)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxopyrazol-4-ylidene]ethyl]amino]acetate
| Molecular Formula | C17H18N4O3S |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 2.45582 |
| Topological Polar Surface Area | 89.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.10995 |
| Heavy Atoms | 25 |
| Complexity | 979.4918 |
Chemical Identifiers
| CAS Number | 378198-17-5 |
|---|---|
| SMILES | CCOC(=O)CN=C(C)C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C |
Product Overview
Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate (CAS 378198-17-5), with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol. IUPAC: ethyl 2-[1-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]acetate.
Chemical Property Profile of Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate
Property Insights of Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate
The XLogP value of 2.45582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate. The TPSA of 89.34 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate. Following Lipinski's Rule of Five, Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]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 Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate?
The CAS number of Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate is 378198-17-5.
What is the molecular formula of Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate?
The molecular formula of Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate is C17H18N4O3S.
What is the molecular weight of Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate?
The molecular weight of Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate is 358.11 g/mol.
Where can I buy Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate?
You can request a quote for Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[1-(1-benzothiazol-2-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethylamino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.