1-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one
TL;DR: 1-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one (CAS 879048-70-1) is a chemical compound with molecular formula C21H20BrNO4 and molecular weight 429.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-hydroxy-3-(2-oxopropyl)-1-[(2-prop-2-enoxyphenyl)methyl]indol-2-one
Also Known As: ASN 14404845, VU0513020-1, F3190-0620, 1-(2-(allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one, 5-bromo-3-hydroxy-3-(2-oxopropyl)-1-[(2-prop-2-enoxyphenyl)methyl]indol-2-one
| Molecular Formula | C21H20BrNO4 |
|---|---|
| Molecular Weight | 429.06 g/mol |
| LogP | 3.7274 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.05756 |
| Heavy Atoms | 27 |
| Complexity | 910.8047 |
Chemical Identifiers
| CAS Number | 879048-70-1 |
|---|---|
| SMILES | CC(=O)CC1(C2=C(C=CC(=C2)Br)N(C1=O)CC3=CC=CC=C3OCC=C)O |
Product Overview
1-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one (CAS 879048-70-1), with molecular formula C21H20BrNO4 and molecular weight 429.06 g/mol. IUPAC: 5-bromo-3-hydroxy-3-(2-oxopropyl)-1-[(2-prop-2-enoxyphenyl)methyl]indol-2-one.
Chemical Property Profile of 1-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one
Property Insights of 1-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one
The XLogP value of 3.7274 indicates that 1-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one. Following Lipinski's Rule of Five, 1-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one has 1 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-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one?
The CAS number of 1-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one is 879048-70-1.
What is the molecular formula of 1-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one?
The molecular formula of 1-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one is C21H20BrNO4.
What is the molecular weight of 1-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one?
The molecular weight of 1-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one is 429.06 g/mol.
Where can I buy 1-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one?
You can request a quote for 1-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-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-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(Allyloxy)benzyl)-5-bromo-3-hydroxy-3-(2-oxopropyl)indolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.