![methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate structure](/static/products/3389/338975-51-2.webp)
methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate
TL;DR: methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate (CAS 338975-51-2) is a chemical compound with molecular formula C8H11N3O3 and molecular weight 197.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]acetate
Also Known As: 9B-100, methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate, Methyl 2-[(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methylamino]acetate, methyl 2-{[(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate, methyl 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]acetate
| Molecular Formula | C8H11N3O3 |
|---|---|
| Molecular Weight | 197.08 g/mol |
| LogP | -0.39668 |
| Topological Polar Surface Area | 87.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.08005 |
| Heavy Atoms | 14 |
| Complexity | 402.20917 |
Chemical Identifiers
| CAS Number | 338975-51-2 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C=NCC(=O)OC |
Product Overview
methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate (CAS 338975-51-2), with molecular formula C8H11N3O3 and molecular weight 197.08 g/mol. IUPAC: methyl 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]acetate.
Chemical Property Profile of methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate
Property Insights of methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate
The XLogP value of -0.39668 indicates that methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.31 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate. Following Lipinski's Rule of Five, methyl 2-{[(3-methyl-5-oxo-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-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate?
The CAS number of methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate is 338975-51-2.
What is the molecular formula of methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate?
The molecular formula of methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate is C8H11N3O3.
What is the molecular weight of methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate?
The molecular weight of methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate is 197.08 g/mol.
Where can I buy methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate?
You can request a quote for methyl 2-{[(3-methyl-5-oxo-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-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.