![methyl 2-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate structure](/static/products/3389/338975-52-3.webp)
methyl 2-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate
TL;DR: methyl 2-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate (CAS 338975-52-3) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylideneamino]acetate
Also Known As: methyl 2-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate, methyl 2-{[(5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate, 9B-101, methyl 2-[(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)methylamino]acetate, methyl 2-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylideneamino]acetate
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 0.9619 |
| Topological Polar Surface Area | 87.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 640.6531 |
Chemical Identifiers
| CAS Number | 338975-52-3 |
|---|---|
| SMILES | COC(=O)CN=CC1=C(NNC1=O)C2=CC=CC=C2 |
Product Overview
methyl 2-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate (CAS 338975-52-3), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: methyl 2-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylideneamino]acetate.
Chemical Property Profile of methyl 2-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate
Property Insights of methyl 2-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate
The XLogP value of 0.9619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate. The TPSA of 87.31 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate. Following Lipinski's Rule of Five, methyl 2-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate 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 2-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate?
The CAS number of methyl 2-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate is 338975-52-3.
What is the molecular formula of methyl 2-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate?
The molecular formula of methyl 2-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate is C13H13N3O3.
What is the molecular weight of methyl 2-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate?
The molecular weight of methyl 2-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate is 259.10 g/mol.
Where can I buy methyl 2-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate?
You can request a quote for methyl 2-{[(5-oxo-3-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-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[(5-oxo-3-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.