1-Butyl-3-hydroxy-3-phenacylindol-2-one
TL;DR: 1-Butyl-3-hydroxy-3-phenacylindol-2-one (CAS 522604-90-6) is a chemical compound with molecular formula C20H21NO3 and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-hydroxy-3-phenacylindol-2-one
Also Known As: 1-butyl-3-hydroxy-3-phenacylindol-2-one, 1-butyl-3-hydroxy-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-one, AN-655/40687935, 1-BUTYL-3-HYDROXY-3-(2-OXO-2-PHENYLETHYL)-2,3-DIHYDRO-1H-INDOL-2-ONE, Cambridge id 7007213
| Molecular Formula | C20H21NO3 |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 3.2939 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.15213 |
| Heavy Atoms | 24 |
| Complexity | 756.4891 |
Chemical Identifiers
| CAS Number | 522604-90-6 |
|---|---|
| SMILES | CCCCN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=CC=C3)O |
Product Overview
1-Butyl-3-hydroxy-3-phenacylindol-2-one (CAS 522604-90-6), with molecular formula C20H21NO3 and molecular weight 323.15 g/mol. IUPAC: 1-butyl-3-hydroxy-3-phenacylindol-2-one.
Chemical Property Profile of 1-Butyl-3-hydroxy-3-phenacylindol-2-one
Property Insights of 1-Butyl-3-hydroxy-3-phenacylindol-2-one
The XLogP value of 3.2939 indicates that 1-Butyl-3-hydroxy-3-phenacylindol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 1-Butyl-3-hydroxy-3-phenacylindol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-3-hydroxy-3-phenacylindol-2-one has 1 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 1-Butyl-3-hydroxy-3-phenacylindol-2-one?
The CAS number of 1-Butyl-3-hydroxy-3-phenacylindol-2-one is 522604-90-6.
What is the molecular formula of 1-Butyl-3-hydroxy-3-phenacylindol-2-one?
The molecular formula of 1-Butyl-3-hydroxy-3-phenacylindol-2-one is C20H21NO3.
What is the molecular weight of 1-Butyl-3-hydroxy-3-phenacylindol-2-one?
The molecular weight of 1-Butyl-3-hydroxy-3-phenacylindol-2-one is 323.15 g/mol.
Where can I buy 1-Butyl-3-hydroxy-3-phenacylindol-2-one?
You can request a quote for 1-Butyl-3-hydroxy-3-phenacylindol-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-Butyl-3-hydroxy-3-phenacylindol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3-hydroxy-3-phenacylindol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.