1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one
TL;DR: 1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one (CAS 1706-41-8) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-4-phenyl-4H-pyrazol-3-one
Also Known As: 1,3-Dimethyl-4-phenyl-1H-pyrazol-5(4H)-one, 2,5-dimethyl-4-phenyl-4H-pyrazol-3-one, 1,3-Dimethyl-4-phenyl-2-pyrazoline-5-one, J2.857.010D, 1,3-DIMETHYL-4-PHENYL-1,2-PYRAZOLIN-5-ONE
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 1.6181 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 383.5338 |
Chemical Identifiers
| CAS Number | 1706-41-8 |
|---|---|
| SMILES | CC1=NN(C(=O)C1C2=CC=CC=C2)C |
Product Overview
1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one (CAS 1706-41-8), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: 2,5-dimethyl-4-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of 1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one
Property Insights of 1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one
The XLogP value of 1.6181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one. With a topological polar surface area (TPSA) of 32.67 Ų, 1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one has 0 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 1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one?
The CAS number of 1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one is 1706-41-8.
What is the molecular formula of 1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one?
The molecular formula of 1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one is C11H12N2O.
What is the molecular weight of 1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one?
The molecular weight of 1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one is 188.09 g/mol.
Where can I buy 1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one?
You can request a quote for 1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.