1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethyl-
TL;DR: 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethyl- (CAS 108132-61-2) is a chemical compound with molecular formula C13H11ClN2O3 and molecular weight 278.0458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-benzodioxol-5-yl-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone
Also Known As: 1-(1,3-Benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethyl-1H-pyrazole, 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethyl-, 1,3-benzodioxol-5-yl-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone, 2',4'-dihydroxy-3,4,5-trimethoxy-trans-chalcone, Methanone,1,3-benzodioxol-5-yl(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-
Technical Specifications
| Molecular Formula | C13H11ClN2O3 |
| Molecular Weight | 278.0458 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.0458 Da |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
| SMILES | CC1=C(C(=NN1C(=O)C2=CC3=C(C=C2)OCO3)C)Cl |
| InChIKey | FQNSBGQWWPBWEB-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethyl-
Property Insights of 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethyl-
The XLogP value of 3.0 indicates that 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.4 Ų, 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-chloro-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)-4-chloro-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)-4-chloro-3,5-dimethyl-?
The CAS number of 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethyl- is 108132-61-2.
What is the molecular formula of 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethyl-?
The molecular formula of 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethyl- is C13H11ClN2O3.
What is the molecular weight of 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethyl-?
The molecular weight of 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethyl- is 278.0458 g/mol.
Where can I buy 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethyl-?
You can request a quote for 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-chloro-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)-4-chloro-3,5-dimethyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.