2-Phenylpyrazolidin-3-one
TL;DR: 2-Phenylpyrazolidin-3-one (CAS 16860-34-7) is a chemical compound with molecular formula C9H10N2O and molecular weight 162.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylpyrazolidin-3-one
Also Known As: 2-phenylpyrazolidin-3-one, 2-phenyl-3-pyrazolidinone, 2-Phenylpyrazolidine-3-one, J3.278.883A, RefChem:265391
| Molecular Formula | C9H10N2O |
|---|---|
| Molecular Weight | 162.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.07932 |
| Heavy Atoms | 12 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 16860-34-7 |
|---|---|
| SMILES | C1CNN(C1=O)C2=CC=CC=C2 |
| InChIKey | DFJAJOBXRZEBAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenylpyrazolidin-3-one (CAS 16860-34-7), with molecular formula C9H10N2O and molecular weight 162.08 g/mol. IUPAC: 2-phenylpyrazolidin-3-one.
Chemical Property Profile of 2-Phenylpyrazolidin-3-one
Property Insights of 2-Phenylpyrazolidin-3-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylpyrazolidin-3-one. With a topological polar surface area (TPSA) of 32.3 Ų, 2-Phenylpyrazolidin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylpyrazolidin-3-one has 1 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 2-Phenylpyrazolidin-3-one?
The CAS number of 2-Phenylpyrazolidin-3-one is 16860-34-7.
What is the molecular formula of 2-Phenylpyrazolidin-3-one?
The molecular formula of 2-Phenylpyrazolidin-3-one is C9H10N2O.
What is the molecular weight of 2-Phenylpyrazolidin-3-one?
The molecular weight of 2-Phenylpyrazolidin-3-one is 162.08 g/mol.
Where can I buy 2-Phenylpyrazolidin-3-one?
You can request a quote for 2-Phenylpyrazolidin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylpyrazolidin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylpyrazolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.