![methyl 2-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate structure](/static/products/3391/339107-24-3.webp)
methyl 2-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate
TL;DR: methyl 2-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate (CAS 339107-24-3) is a chemical compound with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]acetate
Also Known As: 9B-008, methyl 2-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate, methyl 2-[(3-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]acetate, Methyl 2-[(3-oxo-2H-pyrazol-4-ylidene)methylamino]acetate, methyl 2-[(5-oxo-1H-pyrazol-4-ylidene)methylamino]acetate
| Molecular Formula | C7H9N3O3 |
|---|---|
| Molecular Weight | 183.06 g/mol |
| LogP | -0.7051 |
| Topological Polar Surface Area | 87.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.06439 |
| Heavy Atoms | 13 |
| Complexity | 363.05972 |
Chemical Identifiers
| CAS Number | 339107-24-3 |
|---|---|
| SMILES | COC(=O)CN=CC1=CNNC1=O |
Product Overview
methyl 2-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate (CAS 339107-24-3), with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol. IUPAC: methyl 2-[(3-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]acetate.
Chemical Property Profile of methyl 2-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate
Property Insights of methyl 2-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate
The XLogP value of -0.7051 indicates that methyl 2-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)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-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate. Following Lipinski's Rule of Five, methyl 2-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)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-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate?
The CAS number of methyl 2-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate is 339107-24-3.
What is the molecular formula of methyl 2-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate?
The molecular formula of methyl 2-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate is C7H9N3O3.
What is the molecular weight of methyl 2-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate?
The molecular weight of methyl 2-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate is 183.06 g/mol.
Where can I buy methyl 2-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate?
You can request a quote for methyl 2-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)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-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.