Pyrocatechol Violet
TL;DR: Pyrocatechol Violet (CAS 115-41-3) is a chemical compound with molecular formula C19H14O7S and molecular weight 386.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C19H14O7S |
|---|---|
| Molecular Weight | 386.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.04602 |
| Heavy Atoms | 27 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 115-41-3 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrocatechol Violet (CAS 115-41-3), with molecular formula C19H14O7S and molecular weight 386.05 g/mol. IUPAC: 4-[3-(3,4-dihydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]benzene-1,2-diol.
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
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 386.05 g/mol.
Where can I buy Pyrocatechol Violet?
You can request a quote for Pyrocatechol Violet directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrocatechol Violet?
Yes, KEHONG BIO provides custom synthesis services for Pyrocatechol Violet and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.