(E)-3-Ethylidenephthalide
TL;DR: (E)-3-Ethylidenephthalide (CAS 4767-63-9) is a chemical compound with molecular formula C10H8O2 and molecular weight 160.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-ethylidene-2-benzofuran-1-one
Also Known As: (E)-3-Ethylidenephthalide, Butylphthalide Impurity 57, (3E)-3-ethylidene-2-benzofuran-1-one, (E)-3-Ethylideneisobenzofuran-1(3H)-one, 3-Ethylidene-1(3H)-isobenzofuranone
| Molecular Formula | C10H8O2 |
|---|---|
| Molecular Weight | 160.05 g/mol |
| LogP | 2.2178 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.05243 |
| Heavy Atoms | 12 |
| Complexity | 363.85626 |
Chemical Identifiers
| CAS Number | 4767-63-9 |
|---|---|
| SMILES | C/C=C/1\C2=CC=CC=C2C(=O)O1 |
Product Overview
(E)-3-Ethylidenephthalide (CAS 4767-63-9), with molecular formula C10H8O2 and molecular weight 160.05 g/mol. IUPAC: (3E)-3-ethylidene-2-benzofuran-1-one.
Chemical Property Profile of (E)-3-Ethylidenephthalide
Property Insights of (E)-3-Ethylidenephthalide
The XLogP value of 2.2178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-Ethylidenephthalide. With a topological polar surface area (TPSA) of 26.3 Ų, (E)-3-Ethylidenephthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-Ethylidenephthalide has 0 hydrogen bond donor(s) and 2 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 (E)-3-Ethylidenephthalide?
The CAS number of (E)-3-Ethylidenephthalide is 4767-63-9.
What is the molecular formula of (E)-3-Ethylidenephthalide?
The molecular formula of (E)-3-Ethylidenephthalide is C10H8O2.
What is the molecular weight of (E)-3-Ethylidenephthalide?
The molecular weight of (E)-3-Ethylidenephthalide is 160.05 g/mol.
Where can I buy (E)-3-Ethylidenephthalide?
You can request a quote for (E)-3-Ethylidenephthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-Ethylidenephthalide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-Ethylidenephthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.