2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione
TL;DR: 2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione (CAS 69574-16-9) is a chemical compound with molecular formula C20H20O3 and molecular weight 308.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione
Also Known As: 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione, AM-814/41092095, 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indene-1,3(2H)-dione, 1H-indene-1,3(2h)-dione,2-[3-(1,1-dimethylethyl)-4-hydroxy-5-methylphenyl]-
| Molecular Formula | C20H20O3 |
|---|---|
| Molecular Weight | 308.14 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.14124 |
| Heavy Atoms | 23 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 69574-16-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C(C)(C)C)C2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | UHTFPDISMZAYFS-UHFFFAOYSA-N |
Product Overview
2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione (CAS 69574-16-9), with molecular formula C20H20O3 and molecular weight 308.14 g/mol. IUPAC: 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione.
Chemical Property Profile of 2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione
Property Insights of 2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione
The XLogP value of 4.8 indicates that 2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione 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 2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione?
The CAS number of 2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione is 69574-16-9.
What is the molecular formula of 2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione?
The molecular formula of 2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione is C20H20O3.
What is the molecular weight of 2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione?
The molecular weight of 2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione is 308.14 g/mol.
Where can I buy 2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione?
You can request a quote for 2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Tert-butyl-4-hydroxy-5-methylphenyl)indene-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.