5,5',7,7'-Tetrabromoindigo
TL;DR: 5,5',7,7'-Tetrabromoindigo (CAS 2475-31-2) is a chemical compound with molecular formula C16H6Br4N2O2 and molecular weight 573.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dibromo-2-(5,7-dibromo-3-hydroxy-1H-indol-2-yl)indol-3-one
Also Known As: Vat Blue 4B, Tetrabromoindigo, Ciba Blue 2B, Bromindigo, Vat Blue 5
| Molecular Formula | C16H6Br4N2O2 |
|---|---|
| Molecular Weight | 573.72 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 577.71216 |
| Heavy Atoms | 24 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 2475-31-2 |
|---|---|
| SMILES | C1=C(C=C(C2=C1C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4Br)Br)O)Br)Br |
| InChIKey | ZLHGTHCCYUEAIK-UHFFFAOYSA-N |
Product Overview
5,5',7,7'-Tetrabromoindigo (CAS 2475-31-2), with molecular formula C16H6Br4N2O2 and molecular weight 573.72 g/mol. IUPAC: 5,7-dibromo-2-(5,7-dibromo-3-hydroxy-1H-indol-2-yl)indol-3-one.
Chemical Property Profile of 5,5',7,7'-Tetrabromoindigo
Property Insights of 5,5',7,7'-Tetrabromoindigo
The XLogP value of 5.5 indicates that 5,5',7,7'-Tetrabromoindigo 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 5,5',7,7'-Tetrabromoindigo. Following Lipinski's Rule of Five, 5,5',7,7'-Tetrabromoindigo has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,5',7,7'-Tetrabromoindigo?
The CAS number of 5,5',7,7'-Tetrabromoindigo is 2475-31-2.
What is the molecular formula of 5,5',7,7'-Tetrabromoindigo?
The molecular formula of 5,5',7,7'-Tetrabromoindigo is C16H6Br4N2O2.
What is the molecular weight of 5,5',7,7'-Tetrabromoindigo?
The molecular weight of 5,5',7,7'-Tetrabromoindigo is 573.72 g/mol.
Where can I buy 5,5',7,7'-Tetrabromoindigo?
You can request a quote for 5,5',7,7'-Tetrabromoindigo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5',7,7'-Tetrabromoindigo?
Yes, KEHONG BIO provides custom synthesis services for 5,5',7,7'-Tetrabromoindigo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.