![2-[(2-Chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate structure](/static/products/1164/1164110-98-8.webp)
2-[(2-Chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
TL;DR: 2-[(2-Chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate (CAS 1164110-98-8) is a chemical compound with molecular formula C10H9ClN2O and molecular weight 208.04034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
Also Known As: 2-[(2-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate, 1-(2-Chlorophenyl)methyleneimmonium-3-pyrazolidinone-1,2-inner salt
Technical Specifications
| Molecular Formula | C10H9ClN2O |
| Molecular Weight | 208.04034 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 38.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.04034 Da |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
| SMILES | C1C[N+](=CC2=CC=CC=C2Cl)N=C1[O-] |
| InChIKey | ASFHFVPOPIEDAV-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(2-Chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
Property Insights of 2-[(2-Chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate. With a topological polar surface area (TPSA) of 38.4 Ų, 2-[(2-Chlorophenyl)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-[(2-Chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate has 0 hydrogen bond donor(s) and 2 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-[(2-Chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The CAS number of 2-[(2-Chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate is 1164110-98-8.
What is the molecular formula of 2-[(2-Chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The molecular formula of 2-[(2-Chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate is C10H9ClN2O.
What is the molecular weight of 2-[(2-Chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The molecular weight of 2-[(2-Chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate is 208.04034 g/mol.
Where can I buy 2-[(2-Chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
You can request a quote for 2-[(2-Chlorophenyl)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-[(2-Chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
Yes, CoreyChem provides custom synthesis services for 2-[(2-Chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.