![2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate structure](/static/products/1321/1321111-57-2.webp)
2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
TL;DR: 2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate (CAS 1321111-57-2) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
Also Known As: 1-[(4-methoxyphenyl)methylidene]-4,5-dihydropyrazol-3-olate, 1-(4-Methoxyphenyl)methyleneimmonium-3-pyrazolidine-1,2-inner salt, 2-[(4-methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
Technical Specifications
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.08987 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 47.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.08987 Da |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
| SMILES | COC1=CC=C(C=C1)C=[N+]2CCC(=N2)[O-] |
| InChIKey | XKWJPQATNMBSMQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
Property Insights of 2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate. With a topological polar surface area (TPSA) of 47.7 Ų, 2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The CAS number of 2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate is 1321111-57-2.
What is the molecular formula of 2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The molecular formula of 2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate is C11H12N2O2.
What is the molecular weight of 2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The molecular weight of 2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate is 204.08987 g/mol.
Where can I buy 2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
You can request a quote for 2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
Yes, CoreyChem provides custom synthesis services for 2-[(4-Methoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.