![methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate structure](/static/products/1595/159592-98-0.webp)
methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate
TL;DR: methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate (CAS 159592-98-0) is a chemical compound with molecular formula C14H15N3O3 and molecular weight 273.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]acetate
Also Known As: methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate, methyl 2-({[(4Z)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)acetate, methyl 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]acetate, Methyl 2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methylamino]acetate, methyl 2-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]acetate
| Molecular Formula | C14H15N3O3 |
|---|---|
| Molecular Weight | 273.11 g/mol |
| LogP | 1.06592 |
| Topological Polar Surface Area | 76.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.11133 |
| Heavy Atoms | 20 |
| Complexity | 683.4349 |
Chemical Identifiers
| CAS Number | 159592-98-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NCC(=O)OC |
Product Overview
methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate (CAS 159592-98-0), with molecular formula C14H15N3O3 and molecular weight 273.11 g/mol. IUPAC: methyl 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]acetate.
Chemical Property Profile of methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate
Property Insights of methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate
The XLogP value of 1.06592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate. The TPSA of 76.45 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate. Following Lipinski's Rule of Five, methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate 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 methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate?
The CAS number of methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate is 159592-98-0.
What is the molecular formula of methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate?
The molecular formula of methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate is C14H15N3O3.
What is the molecular weight of methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate?
The molecular weight of methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate is 273.11 g/mol.
Where can I buy methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate?
You can request a quote for methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.