Phthalide
TL;DR: Phthalide (CAS 87-41-2) is a chemical compound with molecular formula C8H6O2 and molecular weight 134.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3H-2-benzofuran-1-one
Also Known As: PHTHALIDE, Isobenzofuran-1(3H)-one, 1-Phthalanone, Phthalolactone, 1(3H)-Isobenzofuranone
| Molecular Formula | C8H6O2 |
|---|---|
| Molecular Weight | 134.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.03677 |
| Heavy Atoms | 10 |
| Complexity | 153.0 |
| Melting Point | 75 °C |
Chemical Identifiers
| CAS Number | 87-41-2 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)O1 |
| InChIKey | WNZQDUSMALZDQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phthalide (CAS 87-41-2), with molecular formula C8H6O2 and molecular weight 134.04 g/mol. IUPAC: 3H-2-benzofuran-1-one.
Chemical Property Profile of Phthalide
Property Insights of Phthalide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalide. With a topological polar surface area (TPSA) of 26.3 Ų, Phthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalide 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 Phthalide?
The CAS number of Phthalide is 87-41-2.
What is the molecular formula of Phthalide?
The molecular formula of Phthalide is C8H6O2.
What is the molecular weight of Phthalide?
The molecular weight of Phthalide is 134.04 g/mol.
Where can I buy Phthalide?
You can request a quote for Phthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalide?
Yes, KEHONG BIO provides custom synthesis services for Phthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.