Pyrogallol Red
TL;DR: Pyrogallol Red (CAS 3172-49-4) is a chemical compound with molecular formula C19H12O8S and molecular weight 400.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)benzenesulfonic acid
Also Known As: Pyrogallol Red, Pyrogallolsulfonephthalein, PYROGALLOSULFONPHTHALEIN, 1,2,3-BENZENETRIOL RED, J3.631.230K
| Molecular Formula | C19H12O8S |
|---|---|
| Molecular Weight | 400.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.0253 |
| Heavy Atoms | 28 |
| Complexity | 878.0 |
Chemical Identifiers
| CAS Number | 3172-49-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4O)O)O)S(=O)(=O)O |
| InChIKey | JTZKNOUMMWIARI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrogallol Red (CAS 3172-49-4), with molecular formula C19H12O8S and molecular weight 400.03 g/mol. IUPAC: 2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)benzenesulfonic acid.
Chemical Property Profile of Pyrogallol Red
Property Insights of Pyrogallol Red
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrogallol Red. The TPSA of 150.0 Ų indicates high polarity, suggesting Pyrogallol Red may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrogallol Red has 4 hydrogen bond donor(s) and 8 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 Pyrogallol Red?
The CAS number of Pyrogallol Red is 3172-49-4.
What is the molecular formula of Pyrogallol Red?
The molecular formula of Pyrogallol Red is C19H12O8S.
What is the molecular weight of Pyrogallol Red?
The molecular weight of Pyrogallol Red is 400.03 g/mol.
Where can I buy Pyrogallol Red?
You can request a quote for Pyrogallol Red directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrogallol Red?
Yes, KEHONG BIO provides custom synthesis services for Pyrogallol Red and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.