1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-
TL;DR: 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl- (CAS 108132-58-7) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-benzodioxol-5-yl-(3,5-dimethylpyrazol-1-yl)methanone
Also Known As: Bionet2_001358, 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-, 1,3-benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)methanone, BAS 03022094, 1,3-benzodioxol-5-yl-(3,5-dimethylpyrazol-1-yl)methanone
Technical Specifications
| Molecular Formula | C13H12N2O3 |
| Molecular Weight | 244.0848 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.0848 Da |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
| SMILES | CC1=CC(=NN1C(=O)C2=CC3=C(C=C2)OCO3)C |
| InChIKey | IXCICYVXWKMZOL-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-
Property Insights of 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-. With a topological polar surface area (TPSA) of 53.4 Ų, 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-?
The CAS number of 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl- is 108132-58-7.
What is the molecular formula of 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-?
The molecular formula of 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl- is C13H12N2O3.
What is the molecular weight of 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-?
The molecular weight of 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl- is 244.0848 g/mol.
Where can I buy 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-?
You can request a quote for 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.