![4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/3391/339107-20-9.webp)
4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one (CAS 339107-20-9) is a chemical compound with molecular formula C12H13N3O and molecular weight 215.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,6-dimethylphenyl)iminomethyl]-1,2-dihydropyrazol-3-one
Also Known As: 4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one, 9B-005, 4-[(2,6-dimethylanilino)methylidene]-1H-pyrazol-5-one, 4-[(2,6-dimethylphenyl)iminomethyl]-1,2-dihydropyrazol-3-one, (4Z)-4-[(2,6-dimethylanilino)methylidene]-1H-pyrazol-5-one
| Molecular Formula | C12H13N3O |
|---|---|
| Molecular Weight | 215.11 g/mol |
| LogP | 2.07044 |
| Topological Polar Surface Area | 61.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.10587 |
| Heavy Atoms | 16 |
| Complexity | 557.69495 |
Chemical Identifiers
| CAS Number | 339107-20-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N=CC2=CNNC2=O |
Product Overview
4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one (CAS 339107-20-9), with molecular formula C12H13N3O and molecular weight 215.11 g/mol. IUPAC: 4-[(2,6-dimethylphenyl)iminomethyl]-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 2.07044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one. The TPSA of 61.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one has 2 hydrogen bond donor(s) and 2 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-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one is 339107-20-9.
What is the molecular formula of 4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one is C12H13N3O.
What is the molecular weight of 4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one is 215.11 g/mol.
Where can I buy 4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,6-dimethylanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.