![(E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate structure](/static/products/444/444768-89-2.png)
(E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate
TL;DR: (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate (CAS 444768-89-2) is a chemical compound with molecular formula C27H22N4O5S and molecular weight 514.13 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)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylideneamino]-4,5-dimethoxybenzoate
Also Known As: (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate, methyl 2-({(E)-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5-dimethoxybenzoate, METHYL 2-({[(4E)-1-(1,3-BENZOTHIAZOL-2-YL)-5-OXO-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)-4,5-DIMETHOXYBENZOATE, methyl 2-({[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-2H-pyrazol-4-yl]methylidene}amino)-4,5-dimethoxybenzoate, methyl 2-[[(E)-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenylpyrazol-4-ylidene]methyl]amino]-4,5-dimethoxybenzoate
| Molecular Formula | C27H22N4O5S |
|---|---|
| Molecular Weight | 514.13 g/mol |
| LogP | 4.9967 |
| Topological Polar Surface Area | 107.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.1311 |
| Heavy Atoms | 37 |
| Complexity | 1651.523 |
Chemical Identifiers
| CAS Number | 444768-89-2 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)N=CC2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)OC |
Product Overview
(E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate (CAS 444768-89-2), with molecular formula C27H22N4O5S and molecular weight 514.13 g/mol. IUPAC: methyl 2-[[2-(1,3-benzothiazol-2-yl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylideneamino]-4,5-dimethoxybenzoate.
Chemical Property Profile of (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate
Property Insights of (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate
The XLogP value of 4.9967 indicates that (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate. Following Lipinski's Rule of Five, (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate?
The CAS number of (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate is 444768-89-2.
What is the molecular formula of (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate?
The molecular formula of (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate is C27H22N4O5S.
What is the molecular weight of (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate?
The molecular weight of (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate is 514.13 g/mol.
Where can I buy (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate?
You can request a quote for (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(((1-(benzo[d]thiazol-2-yl)-5-oxo-3-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-4,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.