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4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one
TL;DR: 4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one (CAS 338975-47-6) is a chemical compound with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methoxyiminomethyl)-1,4-dihydropyrazol-5-one
Also Known As: 4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one, 4-(methoxyiminomethyl)-1,4-dihydropyrazol-5-one, 4-(methoxyiminomethyl)-2,4-dihydropyrazol-3-one, 5-oxo-4,5-dihydro-1H-pyrazole-4-carbaldehyde O-methyloxime
| Molecular Formula | C5H7N3O2 |
|---|---|
| Molecular Weight | 141.05 g/mol |
| LogP | -0.6496 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.05383 |
| Heavy Atoms | 10 |
| Complexity | 187.33209 |
Chemical Identifiers
| CAS Number | 338975-47-6 |
|---|---|
| SMILES | CON=CC1C=NNC1=O |
Product Overview
4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one (CAS 338975-47-6), with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol. IUPAC: 4-(methoxyiminomethyl)-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one
Property Insights of 4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one
The XLogP value of -0.6496 indicates that 4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one. Following Lipinski's Rule of Five, 4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one 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 4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one?
The CAS number of 4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one is 338975-47-6.
What is the molecular formula of 4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one?
The molecular formula of 4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one is C5H7N3O2.
What is the molecular weight of 4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one?
The molecular weight of 4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one is 141.05 g/mol.
Where can I buy 4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one?
You can request a quote for 4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(methoxyimino)methyl]-4,5-dihydro-1H-pyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.