1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)-
TL;DR: 1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)- (CAS 90329-80-9) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dimethylpyrazol-1-yl)-2-phenoxypropan-1-one
Also Known As: 1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)-, 1-(3,5-dimethylpyrazol-1-yl)-2-phenoxypropan-1-one, 1-(3,5-dimethylpyrazolyl)-2-phenoxypropan-1-one, 1H-Pyrazole,3,5-dimethyl-1-(1-oxo-2-phenoxypropyl), 1-(3,5-dimethylpyrazol-1-yl)-2-phenoxy-propan-1-one
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 2.60764 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 546.1766 |
Chemical Identifiers
| CAS Number | 90329-80-9 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C(C)OC2=CC=CC=C2)C |
Product Overview
1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)- (CAS 90329-80-9), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: 1-(3,5-dimethylpyrazol-1-yl)-2-phenoxypropan-1-one.
Chemical Property Profile of 1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)-
Property Insights of 1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)-
The XLogP value of 2.60764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)-. With a topological polar surface area (TPSA) of 44.12 Ų, 1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)- 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 1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)-?
The CAS number of 1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)- is 90329-80-9.
What is the molecular formula of 1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)-?
The molecular formula of 1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)- is C14H16N2O2.
What is the molecular weight of 1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)-?
The molecular weight of 1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)- is 244.12 g/mol.
Where can I buy 1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)-?
You can request a quote for 1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole, 3,5-dimethyl-1-(1-oxo-2-phenoxypropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.