(E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate
TL;DR: (E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate (CAS 332017-40-0) is a chemical compound with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzoate
Also Known As: (E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate, ethyl 4-[[(E)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]amino]benzoate, ethyl 4-[[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methylamino]benzoate, ethyl 4-({(E)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate, ETHYL 4-({[3-METHYL-1-(4-METHYLPHENYL)-5-OXO-1,5-DIHYDRO-4H-PYRAZOL-4-YLIDEN]METHYL}AMINO)BENZOATE
| Molecular Formula | C21H21N3O3 |
|---|---|
| Molecular Weight | 363.16 g/mol |
| LogP | 3.70974 |
| Topological Polar Surface Area | 76.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.1583 |
| Heavy Atoms | 27 |
| Complexity | 1026.0289 |
Chemical Identifiers
| CAS Number | 332017-40-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC2=C(NN(C2=O)C3=CC=C(C=C3)C)C |
Product Overview
(E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate (CAS 332017-40-0), with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol. IUPAC: ethyl 4-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzoate.
Chemical Property Profile of (E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate
Property Insights of (E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate
The XLogP value of 3.70974 indicates that (E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate. Following Lipinski's Rule of Five, (E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate has 1 hydrogen bond donor(s) and 4 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 (E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate?
The CAS number of (E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate is 332017-40-0.
What is the molecular formula of (E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate?
The molecular formula of (E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate is C21H21N3O3.
What is the molecular weight of (E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate?
The molecular weight of (E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate is 363.16 g/mol.
Where can I buy (E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate?
You can request a quote for (E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-(((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.