Phenolphthalin
TL;DR: Phenolphthalin (CAS 81-90-3) is a chemical compound with molecular formula C20H16O4 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(4-hydroxyphenyl)methyl]benzoic acid
Also Known As: Phenolphthalin, Darmol, Chocolax, phenolphthalein, 2-[Bis(4-hydroxyphenyl)methyl]benzoic acid
| Molecular Formula | C20H16O4 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.10486 |
| Heavy Atoms | 24 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 81-90-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C(=O)O |
| InChIKey | FFFPYJTVNSSLBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenolphthalin (CAS 81-90-3), with molecular formula C20H16O4 and molecular weight 320.10 g/mol. IUPAC: 2-[bis(4-hydroxyphenyl)methyl]benzoic acid.
Chemical Property Profile of Phenolphthalin
Property Insights of Phenolphthalin
The XLogP value of 3.4 indicates that Phenolphthalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenolphthalin. Following Lipinski's Rule of Five, Phenolphthalin has 3 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 Phenolphthalin?
The CAS number of Phenolphthalin is 81-90-3.
What is the molecular formula of Phenolphthalin?
The molecular formula of Phenolphthalin is C20H16O4.
What is the molecular weight of Phenolphthalin?
The molecular weight of Phenolphthalin is 320.10 g/mol.
Where can I buy Phenolphthalin?
You can request a quote for Phenolphthalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenolphthalin?
Yes, KEHONG BIO provides custom synthesis services for Phenolphthalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.