![dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate structure](/static/products/4332/433236-59-0.webp)
dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate
TL;DR: dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate (CAS 433236-59-0) is a chemical compound with molecular formula C23H20N4O5S and molecular weight 464.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[1-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate, (Z)-dimethyl 2-((1-(1-(benzo[d]thiazol-2-yl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)terephthalate, 1,4-DIMETHYL 2-({1-[(4Z)-1-(1,3-BENZOTHIAZOL-2-YL)-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]ETHYL}AMINO)BENZENE-1,4-DICARBOXYLATE, dimethyl 2-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1,4-dicarboxylate, dimethyl 2-[[(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxopyrazol-4-ylidene]ethyl]amino]benzene-1,4-dicarboxylate
| Molecular Formula | C23H20N4O5S |
|---|---|
| Molecular Weight | 464.12 g/mol |
| LogP | 3.79762 |
| Topological Polar Surface Area | 115.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.11545 |
| Heavy Atoms | 33 |
| Complexity | 1444.7721 |
Chemical Identifiers
| CAS Number | 433236-59-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C(=NC4=C(C=CC(=C4)C(=O)OC)C(=O)OC)C |
Product Overview
dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate (CAS 433236-59-0), with molecular formula C23H20N4O5S and molecular weight 464.12 g/mol. IUPAC: dimethyl 2-[1-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzene-1,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate
Property Insights of dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate
The XLogP value of 3.79762 indicates that dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.64 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate has 1 hydrogen bond donor(s) and 8 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 dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate?
The CAS number of dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate is 433236-59-0.
What is the molecular formula of dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate?
The molecular formula of dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate is C23H20N4O5S.
What is the molecular weight of dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate?
The molecular weight of dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate is 464.12 g/mol.
Where can I buy dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate?
You can request a quote for dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.