![ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)BENZOATE structure](/static/products/684/684238-65-1.png)
ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)BENZOATE
TL;DR: ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)BENZOATE (CAS 684238-65-1) is a chemical compound with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzoate
Also Known As: ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)BENZOATE, ethyl 2-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]benzoate, (Z)-ethyl 2-(((3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate, ethyl 2-[[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]benzoate, ethyl 2-[[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]benzoate
| Molecular Formula | C20H19N3O3 |
|---|---|
| Molecular Weight | 349.14 g/mol |
| LogP | 3.40132 |
| Topological Polar Surface Area | 76.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.14264 |
| Heavy Atoms | 26 |
| Complexity | 1000.6409 |
Chemical Identifiers
| CAS Number | 684238-65-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1N=CC2=C(NN(C2=O)C3=CC=CC=C3)C |
Product Overview
ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)BENZOATE (CAS 684238-65-1), with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol. IUPAC: ethyl 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzoate.
Chemical Property Profile of ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)BENZOATE
Property Insights of ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)BENZOATE
The XLogP value of 3.40132 indicates that ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-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 ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)BENZOATE. Following Lipinski's Rule of Five, ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-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 ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)BENZOATE?
The CAS number of ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)BENZOATE is 684238-65-1.
What is the molecular formula of ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)BENZOATE?
The molecular formula of ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)BENZOATE is C20H19N3O3.
What is the molecular weight of ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)BENZOATE?
The molecular weight of ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)BENZOATE is 349.14 g/mol.
Where can I buy ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)BENZOATE?
You can request a quote for ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-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 ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)BENZOATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL 2-({[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)BENZOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.