3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide
TL;DR: 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide (CAS 69574-09-0) is a chemical compound with molecular formula C17H14O3 and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-benzofuran-1-one
Also Known As: 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide, 3-(4-Hydroxy-3,5-dimethylbenzylidene)-2-benzofuran-1(3H)-one, 3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-benzofuran-1, 3-[(4-Hydroxy-3,5-dimethylphenyl)methylene]-1(3H)-isobenzofuranone, 3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-benzofuran-1-one
| Molecular Formula | C17H14O3 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.0943 |
| Heavy Atoms | 20 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 69574-09-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C)C=C2C3=CC=CC=C3C(=O)O2 |
| InChIKey | ANSOBNWAUKQYFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide (CAS 69574-09-0), with molecular formula C17H14O3 and molecular weight 266.09 g/mol. IUPAC: 3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-benzofuran-1-one.
Chemical Property Profile of 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide
Property Insights of 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide
The XLogP value of 3.8 indicates that 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide 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 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide?
The CAS number of 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide is 69574-09-0.
What is the molecular formula of 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide?
The molecular formula of 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide is C17H14O3.
What is the molecular weight of 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide?
The molecular weight of 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide is 266.09 g/mol.
Where can I buy 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide?
You can request a quote for 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.