3-tert-butyl-3-hydroxy-1H-indol-2-one
TL;DR: 3-tert-butyl-3-hydroxy-1H-indol-2-one (CAS 53904-05-5) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-3-hydroxy-1H-indol-2-one
Also Known As: 3-tert-butyl-3-hydroxy-1H-indol-2-one, 3-(tert-butyl)-3-hydroxyindolin-2-one, 3-tert-Butyl-3-hydroxy-2,3-dihydroindol-2-one, J1.185.963A, 3-tert-butyl-3-hydroxy-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 1.8724 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 419.87546 |
Chemical Identifiers
| CAS Number | 53904-05-5 |
|---|---|
| SMILES | CC(C)(C)C1(C2=CC=CC=C2NC1=O)O |
Product Overview
3-tert-butyl-3-hydroxy-1H-indol-2-one (CAS 53904-05-5), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 3-tert-butyl-3-hydroxy-1H-indol-2-one.
Chemical Property Profile of 3-tert-butyl-3-hydroxy-1H-indol-2-one
Property Insights of 3-tert-butyl-3-hydroxy-1H-indol-2-one
The XLogP value of 1.8724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-tert-butyl-3-hydroxy-1H-indol-2-one. With a topological polar surface area (TPSA) of 49.33 Ų, 3-tert-butyl-3-hydroxy-1H-indol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-butyl-3-hydroxy-1H-indol-2-one has 2 hydrogen bond donor(s) and 2 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-tert-butyl-3-hydroxy-1H-indol-2-one?
The CAS number of 3-tert-butyl-3-hydroxy-1H-indol-2-one is 53904-05-5.
What is the molecular formula of 3-tert-butyl-3-hydroxy-1H-indol-2-one?
The molecular formula of 3-tert-butyl-3-hydroxy-1H-indol-2-one is C12H15NO2.
What is the molecular weight of 3-tert-butyl-3-hydroxy-1H-indol-2-one?
The molecular weight of 3-tert-butyl-3-hydroxy-1H-indol-2-one is 205.11 g/mol.
Where can I buy 3-tert-butyl-3-hydroxy-1H-indol-2-one?
You can request a quote for 3-tert-butyl-3-hydroxy-1H-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-tert-butyl-3-hydroxy-1H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-butyl-3-hydroxy-1H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.