3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)-
TL;DR: 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)- (CAS 62128-96-5) is a chemical compound with molecular formula C12H12F2N2OS and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(difluoromethylsulfanyl)phenyl]-1,5-dimethylpyrazol-3-one
Also Known As: 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)-, 5-24-01-00338 (Beilstein Handbook Reference), 2,3-Dimethyl-1-(m-(difluoromethylthio)phenyl)-3-pyrazolin-5-one, 2-[3-(difluoromethylsulfanyl)phenyl]-1,5-dimethylpyrazol-3-one, 2,3-Dimethyl-1-[m-(difluoromethylthio)phenyl]-3-pyrazolin-5-one
| Molecular Formula | C12H12F2N2OS |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 2.79912 |
| Topological Polar Surface Area | 26.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.06384 |
| Heavy Atoms | 18 |
| Complexity | 618.7802 |
Chemical Identifiers
| CAS Number | 62128-96-5 |
|---|---|
| SMILES | CC1=CC(=O)N(N1C)C2=CC(=CC=C2)SC(F)F |
Product Overview
3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)- (CAS 62128-96-5), with molecular formula C12H12F2N2OS and molecular weight 270.06 g/mol. IUPAC: 2-[3-(difluoromethylsulfanyl)phenyl]-1,5-dimethylpyrazol-3-one.
Chemical Property Profile of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)-
Property Insights of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)-
The XLogP value of 2.79912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)-. With a topological polar surface area (TPSA) of 26.93 Ų, 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)- 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 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)-?
The CAS number of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)- is 62128-96-5.
What is the molecular formula of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)-?
The molecular formula of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)- is C12H12F2N2OS.
What is the molecular weight of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)-?
The molecular weight of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)- is 270.06 g/mol.
Where can I buy 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)-?
You can request a quote for 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)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-(m-(difluoromethylthio)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.