3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)-
TL;DR: 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)- (CAS 62128-99-8) is a chemical compound with molecular formula C12H12F2N2O3S and molecular weight 302.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(difluoromethylsulfonyl)phenyl]-1,5-dimethylpyrazol-3-one
Also Known As: 5-24-01-00338 (Beilstein Handbook Reference), 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)-, 2,3-Dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)-3-pyrozolin-5-one, 2-[4-(difluoromethylsulfonyl)phenyl]-1,5-dimethylpyrazol-3-one, 2,3-Dimethyl-1-[p-(difluoromethylsulfonyl)phenyl]-3-pyrazolin-5-one
| Molecular Formula | C12H12F2N2O3S |
|---|---|
| Molecular Weight | 302.05 g/mol |
| LogP | 1.48072 |
| Topological Polar Surface Area | 61.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.05368 |
| Heavy Atoms | 20 |
| Complexity | 789.1002 |
Chemical Identifiers
| CAS Number | 62128-99-8 |
|---|---|
| SMILES | CC1=CC(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)C(F)F |
Product Overview
3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)- (CAS 62128-99-8), with molecular formula C12H12F2N2O3S and molecular weight 302.05 g/mol. IUPAC: 2-[4-(difluoromethylsulfonyl)phenyl]-1,5-dimethylpyrazol-3-one.
Chemical Property Profile of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)-
Property Insights of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)-
The XLogP value of 1.48072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)-. The TPSA of 61.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)-. Following Lipinski's Rule of Five, 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)- has 0 hydrogen bond donor(s) and 3 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-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)-?
The CAS number of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)- is 62128-99-8.
What is the molecular formula of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)-?
The molecular formula of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)- is C12H12F2N2O3S.
What is the molecular weight of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)-?
The molecular weight of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)- is 302.05 g/mol.
Where can I buy 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)-?
You can request a quote for 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.