5-Bromo-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one
TL;DR: 5-Bromo-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one (CAS 85778-03-6) is a chemical compound with molecular formula C14H14BrNO3 and molecular weight 323.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-hydroxy-3-(2-oxocyclohexyl)-1H-indol-2-one
Also Known As: ChemDiv1_007408, 5-bromo-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one, BAS 01368182, BIM-0038375.P001, 5-bromo-3-hydroxy-3-(2-oxocyclohexyl)-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C14H14BrNO3 |
|---|---|
| Molecular Weight | 323.02 g/mol |
| LogP | 2.3481 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 323.01572 |
| Heavy Atoms | 19 |
| Complexity | 571.8096 |
Chemical Identifiers
| CAS Number | 85778-03-6 |
|---|---|
| SMILES | C1CCC(=O)C(C1)C2(C3=C(C=CC(=C3)Br)NC2=O)O |
Product Overview
5-Bromo-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one (CAS 85778-03-6), with molecular formula C14H14BrNO3 and molecular weight 323.02 g/mol. IUPAC: 5-bromo-3-hydroxy-3-(2-oxocyclohexyl)-1H-indol-2-one.
Chemical Property Profile of 5-Bromo-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one
Property Insights of 5-Bromo-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one
The XLogP value of 2.3481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one. Following Lipinski's Rule of Five, 5-Bromo-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one has 2 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-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one?
The CAS number of 5-Bromo-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one is 85778-03-6.
What is the molecular formula of 5-Bromo-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one?
The molecular formula of 5-Bromo-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one is C14H14BrNO3.
What is the molecular weight of 5-Bromo-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one?
The molecular weight of 5-Bromo-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one is 323.02 g/mol.
Where can I buy 5-Bromo-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one?
You can request a quote for 5-Bromo-3-hydroxy-3-(2-oxocyclohexyl)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 5-Bromo-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.