![5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one structure](/static/products/907/907985-92-6.png)
5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one
TL;DR: 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one (CAS 907985-92-6) is a chemical compound with molecular formula C18H18BrN3O3 and molecular weight 403.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
Also Known As: 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one, 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one, 1-allyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one, 3-[2-(3,5-dimethylpyrazol-4-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-prop-2-enylind olin-2-one, 5-BROMO-3-[2-(3,5-DIMETHYL-1H-PYRAZOL-4-YL)-2-OXOETHYL]-3-HYDROXY-1-(PROP-2-EN-1-YL)-2,3-DIHYDRO-1H-INDOL-2-ONE
| Molecular Formula | C18H18BrN3O3 |
|---|---|
| Molecular Weight | 403.05 g/mol |
| LogP | 2.78224 |
| Topological Polar Surface Area | 86.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.05316 |
| Heavy Atoms | 25 |
| Complexity | 870.1866 |
Chemical Identifiers
| CAS Number | 907985-92-6 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)C(=O)CC2(C3=C(C=CC(=C3)Br)N(C2=O)CC=C)O |
Product Overview
5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one (CAS 907985-92-6), with molecular formula C18H18BrN3O3 and molecular weight 403.05 g/mol. IUPAC: 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one.
Chemical Property Profile of 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one
Property Insights of 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one
The XLogP value of 2.78224 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-en-1-yl)-1,3-dihydro-2H-indol-2-one. The TPSA of 86.29 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-en-1-yl)-1,3-dihydro-2H-indol-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-en-1-yl)-1,3-dihydro-2H-indol-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
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-en-1-yl)-1,3-dihydro-2H-indol-2-one?
The CAS number of 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one is 907985-92-6.
What is the molecular formula of 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one?
The molecular formula of 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one is C18H18BrN3O3.
What is the molecular weight of 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one?
The molecular weight of 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one is 403.05 g/mol.
Where can I buy 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-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-en-1-yl)-1,3-dihydro-2H-indol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.