3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)-
TL;DR: 3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)- (CAS 62128-94-3) is a chemical compound with molecular formula C12H12F2N2O2 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(difluoromethoxy)phenyl]-1,5-dimethylpyrazol-3-one
Also Known As: 3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)-, 5-24-01-00338 (Beilstein Handbook Reference), 2,3-Dimethyl-1-(3-difluoromethoxyphenyl)-3-pyrazolin-5-one, 2-[3-(difluoromethoxy)phenyl]-1,5-dimethylpyrazol-3-one, 2,3-Dimethyl-1-[3-(difluoromethoxy)phenyl]-3-pyrazolin-5-one
| Molecular Formula | C12H12F2N2O2 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 2.08582 |
| Topological Polar Surface Area | 36.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.08669 |
| Heavy Atoms | 18 |
| Complexity | 616.7802 |
Chemical Identifiers
| CAS Number | 62128-94-3 |
|---|---|
| SMILES | CC1=CC(=O)N(N1C)C2=CC(=CC=C2)OC(F)F |
Product Overview
3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)- (CAS 62128-94-3), with molecular formula C12H12F2N2O2 and molecular weight 254.09 g/mol. IUPAC: 2-[3-(difluoromethoxy)phenyl]-1,5-dimethylpyrazol-3-one.
Chemical Property Profile of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)-
Property Insights of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)-
The XLogP value of 2.08582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)-. With a topological polar surface area (TPSA) of 36.16 Ų, 3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)- 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-(3-difluoromethoxyphenyl)-?
The CAS number of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)- is 62128-94-3.
What is the molecular formula of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)-?
The molecular formula of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)- is C12H12F2N2O2.
What is the molecular weight of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)-?
The molecular weight of 3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)- is 254.09 g/mol.
Where can I buy 3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)-?
You can request a quote for 3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)- 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-(3-difluoromethoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.