![1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one structure](/static/products/1040/1040554-67-3.webp)
1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
TL;DR: 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one (CAS 1040554-67-3) is a chemical compound with molecular formula C22H20BrN3O3 and molecular weight 453.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxyindol-2-one
Also Known As: 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one, 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxyindol-2-one, 3-[2-(3,5-dimethylpyrazol-4-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-benzylindolin- 2-one, 1-BENZYL-5-BROMO-3-[2-(3,5-DIMETHYL-1H-PYRAZOL-4-YL)-2-OXOETHYL]-3-HYDROXY-2,3-DIHYDRO-1H-INDOL-2-ONE
| Molecular Formula | C22H20BrN3O3 |
|---|---|
| Molecular Weight | 453.07 g/mol |
| LogP | 3.79644 |
| Topological Polar Surface Area | 86.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.0688 |
| Heavy Atoms | 29 |
| Complexity | 1090.2452 |
Chemical Identifiers
| CAS Number | 1040554-67-3 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)C(=O)CC2(C3=C(C=CC(=C3)Br)N(C2=O)CC4=CC=CC=C4)O |
Product Overview
1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one (CAS 1040554-67-3), with molecular formula C22H20BrN3O3 and molecular weight 453.07 g/mol. IUPAC: 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxyindol-2-one.
Chemical Property Profile of 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
Property Insights of 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
The XLogP value of 3.79644 indicates that 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one. Following Lipinski's Rule of Five, 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-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 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one?
The CAS number of 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one is 1040554-67-3.
What is the molecular formula of 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one?
The molecular formula of 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one is C22H20BrN3O3.
What is the molecular weight of 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one?
The molecular weight of 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one is 453.07 g/mol.
Where can I buy 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one?
You can request a quote for 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-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 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.