1-Benzoyl-5-methylpyrazolidin-3-one
TL;DR: 1-Benzoyl-5-methylpyrazolidin-3-one (CAS 76669-80-2) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzoyl-5-methylpyrazolidin-3-one
Also Known As: 1-benzoyl-5-methylpyrazolidin-3-one, 1-Benzoyl-5-methyl-pyrazolidin-3-one, 5-methyl-1-(phenylcarbonyl)pyrazolidin-3-one
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 0.9522 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 388.8342 |
Chemical Identifiers
| CAS Number | 76669-80-2 |
|---|---|
| SMILES | CC1CC(=O)NN1C(=O)C2=CC=CC=C2 |
Product Overview
1-Benzoyl-5-methylpyrazolidin-3-one (CAS 76669-80-2), with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol. IUPAC: 1-benzoyl-5-methylpyrazolidin-3-one.
Chemical Property Profile of 1-Benzoyl-5-methylpyrazolidin-3-one
Property Insights of 1-Benzoyl-5-methylpyrazolidin-3-one
The XLogP value of 0.9522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzoyl-5-methylpyrazolidin-3-one. With a topological polar surface area (TPSA) of 49.41 Ų, 1-Benzoyl-5-methylpyrazolidin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoyl-5-methylpyrazolidin-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-Benzoyl-5-methylpyrazolidin-3-one?
The CAS number of 1-Benzoyl-5-methylpyrazolidin-3-one is 76669-80-2.
What is the molecular formula of 1-Benzoyl-5-methylpyrazolidin-3-one?
The molecular formula of 1-Benzoyl-5-methylpyrazolidin-3-one is C11H12N2O2.
What is the molecular weight of 1-Benzoyl-5-methylpyrazolidin-3-one?
The molecular weight of 1-Benzoyl-5-methylpyrazolidin-3-one is 204.09 g/mol.
Where can I buy 1-Benzoyl-5-methylpyrazolidin-3-one?
You can request a quote for 1-Benzoyl-5-methylpyrazolidin-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-Benzoyl-5-methylpyrazolidin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-5-methylpyrazolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.