Bromoindigo
TL;DR: Bromoindigo (CAS 84-40-2) is a chemical compound with molecular formula C16H8Br2N2O2 and molecular weight 417.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-(5-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one
Also Known As: Bromoindigo, 5,5'-Dibromoindigo, Pharmanthrene Blue R, 5,5'-Dibromindigo, Brilliant Indigo KMR
| Molecular Formula | C16H8Br2N2O2 |
|---|---|
| Molecular Weight | 417.90 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 417.89526 |
| Heavy Atoms | 22 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 84-40-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)Br)O |
| InChIKey | LRBZENFZSJNJCR-UHFFFAOYSA-N |
Product Overview
Bromoindigo (CAS 84-40-2), with molecular formula C16H8Br2N2O2 and molecular weight 417.90 g/mol. IUPAC: 5-bromo-2-(5-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one.
Chemical Property Profile of Bromoindigo
Property Insights of Bromoindigo
The XLogP value of 4.1 indicates that Bromoindigo 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 Bromoindigo. Following Lipinski's Rule of Five, Bromoindigo 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
Frequently Asked Questions
What is the CAS number of Bromoindigo?
The CAS number of Bromoindigo is 84-40-2.
What is the molecular formula of Bromoindigo?
The molecular formula of Bromoindigo is C16H8Br2N2O2.
What is the molecular weight of Bromoindigo?
The molecular weight of Bromoindigo is 417.90 g/mol.
Where can I buy Bromoindigo?
You can request a quote for Bromoindigo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromoindigo?
Yes, KEHONG BIO provides custom synthesis services for Bromoindigo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.