4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione
TL;DR: 4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione (CAS 1005629-59-3) is a chemical compound with molecular formula C13H11N3O4 and molecular weight 273.07495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dimethoxy-2-(1H-pyrazol-5-yl)isoindole-1,3-dione
Also Known As: 4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione, 4,5-dimethoxy-2-(1H-pyrazol-5-yl)isoindole-1,3-dione, 4,5-dimethoxy-2-(1H-pyrazol-3-yl)-1H-isoindole-1,3(2H)-dione, 4,5-dimethoxy-2-(1H-pyrazol-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione, 4,5-dimethoxy-2-(2H-pyrazol-3-yl)isoindole-1,3-dione
Technical Specifications
| Molecular Formula | C13H11N3O4 |
| Molecular Weight | 273.07495 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.07495 Da |
| Heavy Atoms | 20 |
| Complexity | 416.0 |
| SMILES | COC1=C(C2=C(C=C1)C(=O)N(C2=O)C3=CC=NN3)OC |
| InChIKey | LODOSTUOPZAZFZ-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione
Property Insights of 4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, 4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione?
The CAS number of 4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione is 1005629-59-3.
What is the molecular formula of 4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione?
The molecular formula of 4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione is C13H11N3O4.
What is the molecular weight of 4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione?
The molecular weight of 4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione is 273.07495 g/mol.
Where can I buy 4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione?
You can request a quote for 4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 4,5-dimethoxy-2-(1H-pyrazol-3-yl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.