5-Bromoindirubin
TL;DR: 5-Bromoindirubin (CAS 60874-72-8) is a chemical compound with molecular formula C16H9BrN2O2 and molecular weight 339.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one
Also Known As: 5-Bromoindirubin, (2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE, NCI60_040621, J2.522.313F, (3Z)-5-bromo-3-(3-ketoindolin-2-ylidene)oxindole
| Molecular Formula | C16H9BrN2O2 |
|---|---|
| Molecular Weight | 339.98 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 339.98474 |
| Heavy Atoms | 21 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 60874-72-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)Br)O |
| InChIKey | XMPHNZMDLSUDQI-UHFFFAOYSA-N |
Product Overview
5-Bromoindirubin (CAS 60874-72-8), with molecular formula C16H9BrN2O2 and molecular weight 339.98 g/mol. IUPAC: 2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one.
Chemical Property Profile of 5-Bromoindirubin
Property Insights of 5-Bromoindirubin
The XLogP value of 3.4 indicates that 5-Bromoindirubin 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-Bromoindirubin. Following Lipinski's Rule of Five, 5-Bromoindirubin 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 5-Bromoindirubin?
The CAS number of 5-Bromoindirubin is 60874-72-8.
What is the molecular formula of 5-Bromoindirubin?
The molecular formula of 5-Bromoindirubin is C16H9BrN2O2.
What is the molecular weight of 5-Bromoindirubin?
The molecular weight of 5-Bromoindirubin is 339.98 g/mol.
Where can I buy 5-Bromoindirubin?
You can request a quote for 5-Bromoindirubin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromoindirubin?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromoindirubin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.