alpha-Naphtholphthalein
TL;DR: alpha-Naphtholphthalein (CAS 596-01-0) is a chemical compound with molecular formula C28H18O4 and molecular weight 418.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
Also Known As: alpha-Naphtholphthalein, Naphtholphthalein, 1-Naphtholphthalein, a-naphtholphthalein, A-Naphtholphthalein
| Molecular Formula | C28H18O4 |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.1205 |
| Heavy Atoms | 32 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 596-01-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2O)C3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C6=CC=CC=C65)O |
| InChIKey | HQHBAGKIEAOSNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Naphtholphthalein (CAS 596-01-0), with molecular formula C28H18O4 and molecular weight 418.12 g/mol. IUPAC: 3,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one.
Chemical Property Profile of alpha-Naphtholphthalein
Property Insights of alpha-Naphtholphthalein
The XLogP value of 6.3 indicates that alpha-Naphtholphthalein is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Naphtholphthalein. Following Lipinski's Rule of Five, alpha-Naphtholphthalein has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-Naphtholphthalein?
The CAS number of alpha-Naphtholphthalein is 596-01-0.
What is the molecular formula of alpha-Naphtholphthalein?
The molecular formula of alpha-Naphtholphthalein is C28H18O4.
What is the molecular weight of alpha-Naphtholphthalein?
The molecular weight of alpha-Naphtholphthalein is 418.12 g/mol.
Where can I buy alpha-Naphtholphthalein?
You can request a quote for alpha-Naphtholphthalein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Naphtholphthalein?
Yes, KEHONG BIO provides custom synthesis services for alpha-Naphtholphthalein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.