![3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one structure](/static/products/6897/689768-63-6.webp)
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one
TL;DR: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one (CAS 689768-63-6) is a chemical compound with molecular formula C18H14BrNO5 and molecular weight 403.01 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-methylindol-2-one
Also Known As: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one, AO-080/43206402, 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-methylindol-2-one
| Molecular Formula | C18H14BrNO5 |
|---|---|
| Molecular Weight | 403.01 g/mol |
| LogP | 2.6148 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.00555 |
| Heavy Atoms | 25 |
| Complexity | 912.3346 |
Chemical Identifiers
| CAS Number | 689768-63-6 |
|---|---|
| SMILES | CN1C2=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-methyl-1,3-dihydro-2H-indol-2-one (CAS 689768-63-6), with molecular formula C18H14BrNO5 and molecular weight 403.01 g/mol. IUPAC: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-methylindol-2-one.
Chemical Property Profile of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one
Property Insights of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one
The XLogP value of 2.6148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one. 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-methyl-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-methyl-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-methyl-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-methyl-1,3-dihydro-2H-indol-2-one is 689768-63-6.
What is the molecular formula of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-methyl-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-methyl-1,3-dihydro-2H-indol-2-one is C18H14BrNO5.
What is the molecular weight of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-methyl-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-methyl-1,3-dihydro-2H-indol-2-one is 403.01 g/mol.
Where can I buy 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1-methyl-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-methyl-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-methyl-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-methyl-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.