Benzylidenephthalide
TL;DR: Benzylidenephthalide (CAS 575-61-1) is a chemical compound with molecular formula C15H10O2 and molecular weight 222.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylidene-2-benzofuran-1-one
Also Known As: Benzalphthalide, 3-Benzylidenephthalide, 3-Benzalphthalide, Benzylidenephthalide, BENZALPHTHLIDE
| Molecular Formula | C15H10O2 |
|---|---|
| Molecular Weight | 222.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.06808 |
| Heavy Atoms | 17 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 575-61-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)O2 |
| InChIKey | YRTPZXMEBGTPLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzylidenephthalide (CAS 575-61-1), with molecular formula C15H10O2 and molecular weight 222.07 g/mol. IUPAC: 3-benzylidene-2-benzofuran-1-one.
Chemical Property Profile of Benzylidenephthalide
Property Insights of Benzylidenephthalide
The XLogP value of 3.5 indicates that Benzylidenephthalide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzylidenephthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylidenephthalide 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 Benzylidenephthalide?
The CAS number of Benzylidenephthalide is 575-61-1.
What is the molecular formula of Benzylidenephthalide?
The molecular formula of Benzylidenephthalide is C15H10O2.
What is the molecular weight of Benzylidenephthalide?
The molecular weight of Benzylidenephthalide is 222.07 g/mol.
Where can I buy Benzylidenephthalide?
You can request a quote for Benzylidenephthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylidenephthalide?
Yes, KEHONG BIO provides custom synthesis services for Benzylidenephthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.