1-(3-Chloro-phenyl)-pyrazolidin-3-one
TL;DR: 1-(3-Chloro-phenyl)-pyrazolidin-3-one (CAS 6112-54-5) is a chemical compound with molecular formula C9H9ClN2O and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)pyrazolidin-3-one
Also Known As: 1-(3-Chloro-phenyl)-pyrazolidin-3-one, 1-(3-chlorophenyl)pyrazolidin-3-one, 1-(3-chlorophenyl)-3-pyrazolidinone, Cambridge id 5100362
| Molecular Formula | C9H9ClN2O |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.04034 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 6112-54-5 |
|---|---|
| SMILES | C1CN(NC1=O)C2=CC(=CC=C2)Cl |
| InChIKey | YGAZCASNSMLPKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Chloro-phenyl)-pyrazolidin-3-one (CAS 6112-54-5), with molecular formula C9H9ClN2O and molecular weight 196.04 g/mol. IUPAC: 1-(3-chlorophenyl)pyrazolidin-3-one.
Chemical Property Profile of 1-(3-Chloro-phenyl)-pyrazolidin-3-one
Property Insights of 1-(3-Chloro-phenyl)-pyrazolidin-3-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloro-phenyl)-pyrazolidin-3-one. With a topological polar surface area (TPSA) of 32.3 Ų, 1-(3-Chloro-phenyl)-pyrazolidin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-phenyl)-pyrazolidin-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 1-(3-Chloro-phenyl)-pyrazolidin-3-one?
The CAS number of 1-(3-Chloro-phenyl)-pyrazolidin-3-one is 6112-54-5.
What is the molecular formula of 1-(3-Chloro-phenyl)-pyrazolidin-3-one?
The molecular formula of 1-(3-Chloro-phenyl)-pyrazolidin-3-one is C9H9ClN2O.
What is the molecular weight of 1-(3-Chloro-phenyl)-pyrazolidin-3-one?
The molecular weight of 1-(3-Chloro-phenyl)-pyrazolidin-3-one is 196.04 g/mol.
Where can I buy 1-(3-Chloro-phenyl)-pyrazolidin-3-one?
You can request a quote for 1-(3-Chloro-phenyl)-pyrazolidin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-phenyl)-pyrazolidin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-phenyl)-pyrazolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.