1-o-Tolyl-pyrazolidin-3-one
TL;DR: 1-o-Tolyl-pyrazolidin-3-one (CAS 6112-49-8) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylphenyl)pyrazolidin-3-one
Also Known As: 1-o-Tolyl-pyrazolidin-3-one, 3-pyrazolidinone,1-(2-methylphenyl)-, 1-(2-methylphenyl)-3-pyrazolidinone, 1-(2-methylphenyl)pyrazolidin-3-one, AB00073630-01
| Molecular Formula | C10H12N2O |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.09496 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 6112-49-8 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCC(=O)N2 |
| InChIKey | VQAMXXXBDNKODW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-o-Tolyl-pyrazolidin-3-one (CAS 6112-49-8), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: 1-(2-methylphenyl)pyrazolidin-3-one.
Chemical Property Profile of 1-o-Tolyl-pyrazolidin-3-one
Property Insights of 1-o-Tolyl-pyrazolidin-3-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-o-Tolyl-pyrazolidin-3-one. With a topological polar surface area (TPSA) of 32.3 Ų, 1-o-Tolyl-pyrazolidin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-o-Tolyl-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-o-Tolyl-pyrazolidin-3-one?
The CAS number of 1-o-Tolyl-pyrazolidin-3-one is 6112-49-8.
What is the molecular formula of 1-o-Tolyl-pyrazolidin-3-one?
The molecular formula of 1-o-Tolyl-pyrazolidin-3-one is C10H12N2O.
What is the molecular weight of 1-o-Tolyl-pyrazolidin-3-one?
The molecular weight of 1-o-Tolyl-pyrazolidin-3-one is 176.09 g/mol.
Where can I buy 1-o-Tolyl-pyrazolidin-3-one?
You can request a quote for 1-o-Tolyl-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-o-Tolyl-pyrazolidin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-o-Tolyl-pyrazolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.