Pyrocatechol Violet
TL;DR: Pyrocatechol Violet (CAS 115-41-3) is a chemical compound with molecular formula C19H14O7S and molecular weight 386.04602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-(3,4-dihydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]benzene-1,2-diol
Also Known As: Pyrocatechol violet, Catechol violet, Pyrocatechinsulfonephthalein, Catechol Violet 5g, Pyrocatecholsulfonphthalein
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H14O7S |
| Molecular Weight | 386.04602 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.04602 Da |
| Heavy Atoms | 27 |
| Complexity | 619.0 |
| SMILES | C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O |
| InChIKey | RRRCKIRSVQAAAS-UHFFFAOYSA-N |
Chemical Property Profile of Pyrocatechol Violet
Property Insights of Pyrocatechol Violet
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrocatechol Violet. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrocatechol Violet. Following Lipinski's Rule of Five, Pyrocatechol Violet has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pyrocatechol Violet?
The CAS number of Pyrocatechol Violet is 115-41-3.
What is the molecular formula of Pyrocatechol Violet?
The molecular formula of Pyrocatechol Violet is C19H14O7S.
What is the molecular weight of Pyrocatechol Violet?
The molecular weight of Pyrocatechol Violet is 386.04602 g/mol.
Where can I buy Pyrocatechol Violet?
You can request a quote for Pyrocatechol Violet directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrocatechol Violet?
Yes, CoreyChem provides custom synthesis services for Pyrocatechol Violet and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.