3-((4-Methoxyphenyl)methylene)phthalide
TL;DR: 3-((4-Methoxyphenyl)methylene)phthalide (CAS 71126-50-6) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-[(4-methoxyphenyl)methylidene]-2-benzofuran-1-one
Also Known As: p-Anisylidenephthalide, 3-(4-Methoxybenzylidene)phthalide, 3-((4-Methoxyphenyl)methylene)phthalide, 3-(4-Methoxybenzal)phthalide, EINECS 225-308-4
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 71126-50-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C\2/C3=CC=CC=C3C(=O)O2 |
| InChIKey | XBPLURLJIACOAL-GDNBJRDFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((4-Methoxyphenyl)methylene)phthalide (CAS 71126-50-6), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: (3Z)-3-[(4-methoxyphenyl)methylidene]-2-benzofuran-1-one.
Chemical Property Profile of 3-((4-Methoxyphenyl)methylene)phthalide
Property Insights of 3-((4-Methoxyphenyl)methylene)phthalide
The XLogP value of 3.4 indicates that 3-((4-Methoxyphenyl)methylene)phthalide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3-((4-Methoxyphenyl)methylene)phthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-Methoxyphenyl)methylene)phthalide has 0 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-((4-Methoxyphenyl)methylene)phthalide?
The CAS number of 3-((4-Methoxyphenyl)methylene)phthalide is 71126-50-6.
What is the molecular formula of 3-((4-Methoxyphenyl)methylene)phthalide?
The molecular formula of 3-((4-Methoxyphenyl)methylene)phthalide is C16H12O3.
What is the molecular weight of 3-((4-Methoxyphenyl)methylene)phthalide?
The molecular weight of 3-((4-Methoxyphenyl)methylene)phthalide is 252.08 g/mol.
Where can I buy 3-((4-Methoxyphenyl)methylene)phthalide?
You can request a quote for 3-((4-Methoxyphenyl)methylene)phthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-Methoxyphenyl)methylene)phthalide?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Methoxyphenyl)methylene)phthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.