Anilinephthalein
TL;DR: Anilinephthalein (CAS 509-77-3) is a chemical compound with molecular formula C20H16N2O2 and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(4-aminophenyl)-2-benzofuran-1-one
Also Known As: Anilinephthalein, race-Acetylmethadol, 3,3-bis phthalide, ANILINEPHTHALEIN [MI], 3,3-Bis(4-aminophenyl)phthalide
| Molecular Formula | C20H16N2O2 |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.1212 |
| Heavy Atoms | 24 |
| Complexity | 442.0 |
| Solubility | 32.1 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 509-77-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)N)C4=CC=C(C=C4)N |
| InChIKey | PLYHMRQAXIKUIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Anilinephthalein (CAS 509-77-3), with molecular formula C20H16N2O2 and molecular weight 316.12 g/mol. IUPAC: 3,3-bis(4-aminophenyl)-2-benzofuran-1-one.
Chemical Property Profile of Anilinephthalein
Property Insights of Anilinephthalein
The XLogP value of 3.0 indicates that Anilinephthalein is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Anilinephthalein. Following Lipinski's Rule of Five, Anilinephthalein has 2 hydrogen bond donor(s) and 4 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 Anilinephthalein?
The CAS number of Anilinephthalein is 509-77-3.
What is the molecular formula of Anilinephthalein?
The molecular formula of Anilinephthalein is C20H16N2O2.
What is the molecular weight of Anilinephthalein?
The molecular weight of Anilinephthalein is 316.12 g/mol.
Where can I buy Anilinephthalein?
You can request a quote for Anilinephthalein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anilinephthalein?
Yes, KEHONG BIO provides custom synthesis services for Anilinephthalein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.