4-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one
TL;DR: 4-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one (CAS 338975-49-8) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one
Also Known As: 4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one, 4-(methoxyiminomethyl)-5-phenyl-2,4-dihydropyrazol-3-one, 5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-4-carbaldehyde O-methyloxime
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 0.7689 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 439.8027 |
Chemical Identifiers
| CAS Number | 338975-49-8 |
|---|---|
| SMILES | CON=CC1C(=NNC1=O)C2=CC=CC=C2 |
Product Overview
4-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one (CAS 338975-49-8), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: 4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 4-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one
Property Insights of 4-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one
The XLogP value of 0.7689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one. Following Lipinski's Rule of Five, 4-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-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-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one?
The CAS number of 4-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one is 338975-49-8.
What is the molecular formula of 4-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one?
The molecular formula of 4-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one is C11H11N3O2.
What is the molecular weight of 4-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one?
The molecular weight of 4-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one is 217.09 g/mol.
Where can I buy 4-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one?
You can request a quote for 4-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-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-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.