3-Pyrazolidinone, 1-methyl-5-phenyl-
TL;DR: 3-Pyrazolidinone, 1-methyl-5-phenyl- (CAS 14776-37-5) 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-methyl-5-phenylpyrazolidin-3-one
Also Known As: 1-Methyl-5-phenylpyrazolidin-3-one, 3-Pyrazolidinone, 1-methyl-5-phenyl-, 1-methyl-5-phenylpyrazolin-3-one, 5-24-02-00471 (Beilstein Handbook Reference), pyrazole, tetrahydro-1-methyl-3-oxo-5-phenyl-
| Molecular Formula | C10H12N2O |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 1.0 |
| 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 | 199.0 |
Chemical Identifiers
| CAS Number | 14776-37-5 |
|---|---|
| SMILES | CN1C(CC(=O)N1)C2=CC=CC=C2 |
| InChIKey | JNZGAKJBZUGXCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyrazolidinone, 1-methyl-5-phenyl- (CAS 14776-37-5), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: 1-methyl-5-phenylpyrazolidin-3-one.
Chemical Property Profile of 3-Pyrazolidinone, 1-methyl-5-phenyl-
Property Insights of 3-Pyrazolidinone, 1-methyl-5-phenyl-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyrazolidinone, 1-methyl-5-phenyl-. With a topological polar surface area (TPSA) of 32.3 Ų, 3-Pyrazolidinone, 1-methyl-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyrazolidinone, 1-methyl-5-phenyl- 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 3-Pyrazolidinone, 1-methyl-5-phenyl-?
The CAS number of 3-Pyrazolidinone, 1-methyl-5-phenyl- is 14776-37-5.
What is the molecular formula of 3-Pyrazolidinone, 1-methyl-5-phenyl-?
The molecular formula of 3-Pyrazolidinone, 1-methyl-5-phenyl- is C10H12N2O.
What is the molecular weight of 3-Pyrazolidinone, 1-methyl-5-phenyl-?
The molecular weight of 3-Pyrazolidinone, 1-methyl-5-phenyl- is 176.09 g/mol.
Where can I buy 3-Pyrazolidinone, 1-methyl-5-phenyl-?
You can request a quote for 3-Pyrazolidinone, 1-methyl-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyrazolidinone, 1-methyl-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyrazolidinone, 1-methyl-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.