![(3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]- structure](/static/products/6957/69574-12-5.webp)
(3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-
TL;DR: (3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]- (CAS 69574-12-5) 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.
3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-2-benzofuran-1-one
Also Known As: (3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-, 3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-2-benzofuran-1-one, 1(3H)-ISOBENZOFURANONE,3-[[3-(1,1-DIMETHYLETHYL)-4-HYDROXY-5-METHYLPHENYL]METHYLENE]-
| Molecular Formula | C20H20O3 |
|---|---|
| Molecular Weight | 308.14 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.14124 |
| Heavy Atoms | 23 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 69574-12-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C(C)(C)C)C=C2C3=CC=CC=C3C(=O)O2 |
| InChIKey | XUCQJSOPPDGVTA-UHFFFAOYSA-N |
Product Overview
(3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]- (CAS 69574-12-5), with molecular formula C20H20O3 and molecular weight 308.14 g/mol. IUPAC: 3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-2-benzofuran-1-one.
Chemical Property Profile of (3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-
Property Insights of (3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-
The XLogP value of 5.2 indicates that (3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, (3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-?
The CAS number of (3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]- is 69574-12-5.
What is the molecular formula of (3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-?
The molecular formula of (3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]- is C20H20O3.
What is the molecular weight of (3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-?
The molecular weight of (3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]- is 308.14 g/mol.
Where can I buy (3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-?
You can request a quote for (3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.