5-Methyl-1-phenyl-3-pyrazolidinone
TL;DR: 5-Methyl-1-phenyl-3-pyrazolidinone (CAS 6112-47-6) 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.
5-methyl-1-phenylpyrazolidin-3-one
Also Known As: 5-methyl-1-phenylpyrazolidin-3-one, 5-methyl-1-phenyl-3-pyrazolidinone, 5-methyl-1-phenyl-pyrazolidin-3-one, 5-Methyl-1-phenyl-3-pyrazolidone, 5-methyl-1-phenylpyrazolin-3-one
| Molecular Formula | C10H12N2O |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 1.3164 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.09496 |
| Heavy Atoms | 13 |
| Complexity | 309.9606 |
Chemical Identifiers
| CAS Number | 6112-47-6 |
|---|---|
| SMILES | CC1CC(=O)NN1C2=CC=CC=C2 |
Product Overview
5-Methyl-1-phenyl-3-pyrazolidinone (CAS 6112-47-6), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: 5-methyl-1-phenylpyrazolidin-3-one.
Chemical Property Profile of 5-Methyl-1-phenyl-3-pyrazolidinone
Property Insights of 5-Methyl-1-phenyl-3-pyrazolidinone
The XLogP value of 1.3164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1-phenyl-3-pyrazolidinone. With a topological polar surface area (TPSA) of 32.34 Ų, 5-Methyl-1-phenyl-3-pyrazolidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1-phenyl-3-pyrazolidinone 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 5-Methyl-1-phenyl-3-pyrazolidinone?
The CAS number of 5-Methyl-1-phenyl-3-pyrazolidinone is 6112-47-6.
What is the molecular formula of 5-Methyl-1-phenyl-3-pyrazolidinone?
The molecular formula of 5-Methyl-1-phenyl-3-pyrazolidinone is C10H12N2O.
What is the molecular weight of 5-Methyl-1-phenyl-3-pyrazolidinone?
The molecular weight of 5-Methyl-1-phenyl-3-pyrazolidinone is 176.09 g/mol.
Where can I buy 5-Methyl-1-phenyl-3-pyrazolidinone?
You can request a quote for 5-Methyl-1-phenyl-3-pyrazolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1-phenyl-3-pyrazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1-phenyl-3-pyrazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.