![methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate structure](/static/products/5164/516455-56-4.webp)
methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate
TL;DR: methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate (CAS 516455-56-4) is a chemical compound with molecular formula C20H18N4O5 and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzoate
Also Known As: methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate, methyl 2-({[3-methyl-1-(4-nitrophenyl)-5-oxo-1,2-diazolin-4-ylidene]ethyl}amin o)benzoate, methyl 2-[[(1Z)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate, methyl 2-[1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethylamino]benzoate, (E)-methyl 2-((1-(3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate
| Molecular Formula | C20H18N4O5 |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 3.30952 |
| Topological Polar Surface Area | 119.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.12772 |
| Heavy Atoms | 29 |
| Complexity | 1172.3274 |
Chemical Identifiers
| CAS Number | 516455-56-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=NC3=CC=CC=C3C(=O)OC)C |
Product Overview
methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate (CAS 516455-56-4), with molecular formula C20H18N4O5 and molecular weight 394.13 g/mol. IUPAC: methyl 2-[1-[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzoate.
Chemical Property Profile of methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate
Property Insights of methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate
The XLogP value of 3.30952 indicates that methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.59 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate. Following Lipinski's Rule of Five, methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate has 1 hydrogen bond donor(s) and 6 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 methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate?
The CAS number of methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate is 516455-56-4.
What is the molecular formula of methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate?
The molecular formula of methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate is C20H18N4O5.
What is the molecular weight of methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate?
The molecular weight of methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate is 394.13 g/mol.
Where can I buy methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate?
You can request a quote for methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.