![3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one structure](/static/products/6880/688038-50-8.webp)
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one
TL;DR: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one (CAS 688038-50-8) is a chemical compound with molecular formula C20H18BrNO5 and molecular weight 431.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propylindol-2-one
Also Known As: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one, 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propylindol-2-one, 3-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)-5-bromo-3-hydroxy-1-propyl-indol-2-one, 3-(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2-oxoethyl)-5-bromo-3-hydroxy-1-propyl indolin-2-one
| Molecular Formula | C20H18BrNO5 |
|---|---|
| Molecular Weight | 431.04 g/mol |
| LogP | 3.395 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.03683 |
| Heavy Atoms | 27 |
| Complexity | 943.9645 |
Chemical Identifiers
| CAS Number | 688038-50-8 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)C3=CC4=C(C=C3)OCO4)O |
Product Overview
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one (CAS 688038-50-8), with molecular formula C20H18BrNO5 and molecular weight 431.04 g/mol. IUPAC: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propylindol-2-one.
Chemical Property Profile of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one
Property Insights of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one
The XLogP value of 3.395 indicates that 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one. Following Lipinski's Rule of Five, 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one has 1 hydrogen bond donor(s) and 5 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 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one?
The CAS number of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one is 688038-50-8.
What is the molecular formula of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one?
The molecular formula of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one is C20H18BrNO5.
What is the molecular weight of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one?
The molecular weight of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one is 431.04 g/mol.
Where can I buy 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one?
You can request a quote for 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-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 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.