Tyrian purple
TL;DR: Tyrian purple (CAS 1277170-99-6) is a chemical compound with molecular formula C16H8Br2N2O2 and molecular weight 417.89526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-bromo-2-(6-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one
Also Known As: Tyrian purple, 6,6-Dibromoindigo, 6,6'-Dibromoindigo, pourpre, 6,6'-Dibromindigo
Technical Specifications
| Molecular Formula | C16H8Br2N2O2 |
| Molecular Weight | 417.89526 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 417.89526 Da |
| Heavy Atoms | 22 |
| Complexity | 512.0 |
| SMILES | C1=CC2=C(C=C1Br)NC(=C2O)C3=NC4=C(C3=O)C=CC(=C4)Br |
| InChIKey | UOZOCOQLYQNHII-UHFFFAOYSA-N |
Chemical Property Profile of Tyrian purple
Property Insights of Tyrian purple
The XLogP value of 4.1 indicates that Tyrian purple is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Tyrian purple. Following Lipinski's Rule of Five, Tyrian purple has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tyrian purple?
The CAS number of Tyrian purple is 1277170-99-6.
What is the molecular formula of Tyrian purple?
The molecular formula of Tyrian purple is C16H8Br2N2O2.
What is the molecular weight of Tyrian purple?
The molecular weight of Tyrian purple is 417.89526 g/mol.
Where can I buy Tyrian purple?
You can request a quote for Tyrian purple directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tyrian purple?
Yes, CoreyChem provides custom synthesis services for Tyrian purple and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.