(4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate
TL;DR: (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate (CAS 80336-03-4) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate
Also Known As: (4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate, (4-methyl-3-oxo-1-phenyltetrahydro-1H-pyrazol-4-yl)methyl acetate, (4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methylacetate, (4-methyl-3-oxo-1-phenyl-pyrazolidin-4-yl)methyl acetate, 3-Pyrazolidinone, 4-[(acetyloxy)methyl]-4-methyl-1-phenyl-
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 1.1072 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 460.56396 |
Chemical Identifiers
| CAS Number | 80336-03-4 |
|---|---|
| SMILES | CC(=O)OCC1(CN(NC1=O)C2=CC=CC=C2)C |
Product Overview
(4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate (CAS 80336-03-4), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: (4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate.
Chemical Property Profile of (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate
Property Insights of (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate
The XLogP value of 1.1072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate. With a topological polar surface area (TPSA) of 58.64 Ų, (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate has 1 hydrogen bond donor(s) and 4 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 (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate?
The CAS number of (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate is 80336-03-4.
What is the molecular formula of (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate?
The molecular formula of (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate is C13H16N2O3.
What is the molecular weight of (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate?
The molecular weight of (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate is 248.12 g/mol.
Where can I buy (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate?
You can request a quote for (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.