Phloxine
TL;DR: Phloxine (CAS 6441-77-6) is a chemical compound with molecular formula C20H4Br4Cl2K2O5 and molecular weight 787.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;2',4',5',7'-tetrabromo-4,7-dichloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
Also Known As: Phloxine, Phloxin, Acid red 98, Phloxine K, phloxine sodium
| Molecular Formula | C20H4Br4Cl2K2O5 |
|---|---|
| Molecular Weight | 787.54 g/mol |
| LogP | 0.77 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 791.5402 |
| Heavy Atoms | 33 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 6441-77-6 |
|---|---|
| SMILES | C1=CC(=C2C(=C1Cl)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Br)[O-])Br)Br)[O-])Br)Cl.[K+].[K+] |
| InChIKey | JBBPTUVOZCXCSU-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phloxine (CAS 6441-77-6), with molecular formula C20H4Br4Cl2K2O5 and molecular weight 787.54 g/mol. IUPAC: dipotassium;2',4',5',7'-tetrabromo-4,7-dichloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate.
Chemical Property Profile of Phloxine
Property Insights of Phloxine
The XLogP value of 0.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phloxine. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Phloxine. Following Lipinski's Rule of Five, Phloxine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phloxine?
The CAS number of Phloxine is 6441-77-6.
What is the molecular formula of Phloxine?
The molecular formula of Phloxine is C20H4Br4Cl2K2O5.
What is the molecular weight of Phloxine?
The molecular weight of Phloxine is 787.54 g/mol.
Where can I buy Phloxine?
You can request a quote for Phloxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phloxine?
Yes, KEHONG BIO provides custom synthesis services for Phloxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.