Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate
TL;DR: Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate (CAS 23711-43-5) is a chemical compound with molecular formula C25H21N3O3 and molecular weight 411.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)methylideneamino]benzoate
Also Known As: 5-25-15-00179 (Beilstein Handbook Reference), Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate, Benzoic acid, p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)-, ethyl ester, ethyl 4-[[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]amino]benzoate, Benzoic acid,p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)-,ethyl ester
| Molecular Formula | C25H21N3O3 |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.1583 |
| Heavy Atoms | 31 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 23711-43-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC2=C(NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | SDMPCIKWMYGJRK-UHFFFAOYSA-N |
Product Overview
Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate (CAS 23711-43-5), with molecular formula C25H21N3O3 and molecular weight 411.16 g/mol. IUPAC: ethyl 4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)methylideneamino]benzoate.
Chemical Property Profile of Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate
Property Insights of Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate
The XLogP value of 4.8 indicates that Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate. Following Lipinski's Rule of Five, Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate has 1 hydrogen bond donor(s) and 5 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 p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate?
The CAS number of Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate is 23711-43-5.
What is the molecular formula of Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate?
The molecular formula of Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate is C25H21N3O3.
What is the molecular weight of Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate?
The molecular weight of Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate is 411.16 g/mol.
Where can I buy Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate?
You can request a quote for Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.