![methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate structure](/static/products/3390/339020-64-3.webp)
methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate
TL;DR: methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate (CAS 339020-64-3) is a chemical compound with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]benzoate
Also Known As: methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate, 8B-059, methyl 4-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}benzoate, methyl 4-[(5-oxo-1H-pyrazol-4-ylidene)methylamino]benzoate, methyl 4-[(3-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]benzoate
| Molecular Formula | C12H11N3O3 |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | 1.2402 |
| Topological Polar Surface Area | 87.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.08005 |
| Heavy Atoms | 18 |
| Complexity | 622.5172 |
Chemical Identifiers
| CAS Number | 339020-64-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N=CC2=CNNC2=O |
Product Overview
methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate (CAS 339020-64-3), with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol. IUPAC: methyl 4-[(3-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]benzoate.
Chemical Property Profile of methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate
Property Insights of methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate
The XLogP value of 1.2402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate. The TPSA of 87.31 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate. Following Lipinski's Rule of Five, methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate has 2 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 methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate?
The CAS number of methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate is 339020-64-3.
What is the molecular formula of methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate?
The molecular formula of methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate is C12H11N3O3.
What is the molecular weight of methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate?
The molecular weight of methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate is 245.08 g/mol.
Where can I buy methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate?
You can request a quote for methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.