Bromocresol Purple
TL;DR: Bromocresol Purple (CAS 115-40-2) is a chemical compound with molecular formula C21H16Br2O5S and molecular weight 537.9085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-6-methylphenol
Also Known As: Bromocresol purple, BROMCRESOL PURPLE, Bromkresolpurpur, Bromocresol Roxo, Purple, Bromcresol
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H16Br2O5S |
| Molecular Weight | 537.9085 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 539.9065 Da |
| Heavy Atoms | 29 |
| Complexity | 680.0 |
| Melting Point | 241.5 °C |
| Solubility | Soluble in alcohol, dilute alkalies |
| SMILES | CC1=CC(=CC(=C1O)Br)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)Br |
| InChIKey | ABIUHPWEYMSGSR-UHFFFAOYSA-N |
Chemical Property Profile of Bromocresol Purple
Property Insights of Bromocresol Purple
The XLogP value of 5.1 indicates that Bromocresol Purple is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromocresol Purple. Following Lipinski's Rule of Five, Bromocresol Purple has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bromocresol Purple?
The CAS number of Bromocresol Purple is 115-40-2.
What is the molecular formula of Bromocresol Purple?
The molecular formula of Bromocresol Purple is C21H16Br2O5S.
What is the molecular weight of Bromocresol Purple?
The molecular weight of Bromocresol Purple is 537.9085 g/mol.
Where can I buy Bromocresol Purple?
You can request a quote for Bromocresol Purple directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bromocresol Purple?
Yes, CoreyChem provides custom synthesis services for Bromocresol Purple and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.