5-Bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one
TL;DR: 5-Bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one (CAS 689754-48-1) is a chemical compound with molecular formula C21H22BrNO3 and molecular weight 415.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one
Also Known As: 5-bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one, 5-bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1,3-dihydro-2H-indol-2-one, 5-bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indolin-2-one
| Molecular Formula | C21H22BrNO3 |
|---|---|
| Molecular Weight | 415.08 g/mol |
| LogP | 3.9853 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.0783 |
| Heavy Atoms | 26 |
| Complexity | 821.2608 |
Chemical Identifiers
| CAS Number | 689754-48-1 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)CC3=CC=CC=C3)O |
Product Overview
5-Bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one (CAS 689754-48-1), with molecular formula C21H22BrNO3 and molecular weight 415.08 g/mol. IUPAC: 5-bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one.
Chemical Property Profile of 5-Bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one
Property Insights of 5-Bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one
The XLogP value of 3.9853 indicates that 5-Bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 5-Bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one has 1 hydrogen bond donor(s) and 3 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-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one?
The CAS number of 5-Bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one is 689754-48-1.
What is the molecular formula of 5-Bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one?
The molecular formula of 5-Bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one is C21H22BrNO3.
What is the molecular weight of 5-Bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one?
The molecular weight of 5-Bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one is 415.08 g/mol.
Where can I buy 5-Bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one?
You can request a quote for 5-Bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)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-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-1-butyl-3-hydroxy-3-(2-oxo-3-phenylpropyl)indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.