![5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one structure](/static/products/1024/1024680-94-1.webp)
5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
TL;DR: 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one (CAS 1024680-94-1) is a chemical compound with molecular formula C18H16BrN3O3 and molecular weight 401.0375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
Also Known As: 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one, 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one, 3-[2-(3,5-dimethylpyrazol-4-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-prop-2-ynylind olin-2-one
Technical Specifications
| Molecular Formula | C18H16BrN3O3 |
| Molecular Weight | 401.0375 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.0375 Da |
| Heavy Atoms | 25 |
| Complexity | 618.0 |
| SMILES | CC1=C(C(=NN1)C)C(=O)CC2(C3=C(C=CC(=C3)Br)N(C2=O)CC#C)O |
| InChIKey | FJSBLUNSDMWXRB-UHFFFAOYSA-N |
Chemical Property Profile of 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
Property Insights of 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one. Following Lipinski's Rule of Five, 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one has 2 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 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one?
The CAS number of 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one is 1024680-94-1.
What is the molecular formula of 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one?
The molecular formula of 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one is C18H16BrN3O3.
What is the molecular weight of 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one?
The molecular weight of 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one is 401.0375 g/mol.
Where can I buy 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one?
You can request a quote for 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one?
Yes, CoreyChem provides custom synthesis services for 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.