Bromotopsentin
TL;DR: Bromotopsentin (CAS 112515-44-3) is a chemical compound with molecular formula C20H13BrN4O2 and molecular weight 420.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(6-hydroxy-1H-indol-3-yl)methanone
Also Known As: Bromotopsentin, Topsentin B 2, Topsentin B2, Topsentine B-2, Topsentin B-2
| Molecular Formula | C20H13BrN4O2 |
|---|---|
| Molecular Weight | 420.02 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.0222 |
| Heavy Atoms | 27 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 112515-44-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)NC=C2C(=O)C3=NC=C(N3)C4=CNC5=C4C=CC(=C5)Br |
| InChIKey | YHGQVXFIJGWOFP-UHFFFAOYSA-N |
Product Overview
Bromotopsentin (CAS 112515-44-3), with molecular formula C20H13BrN4O2 and molecular weight 420.02 g/mol. IUPAC: [5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(6-hydroxy-1H-indol-3-yl)methanone.
Chemical Property Profile of Bromotopsentin
Property Insights of Bromotopsentin
The XLogP value of 4.0 indicates that Bromotopsentin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromotopsentin. Following Lipinski's Rule of Five, Bromotopsentin has 4 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 Bromotopsentin?
The CAS number of Bromotopsentin is 112515-44-3.
What is the molecular formula of Bromotopsentin?
The molecular formula of Bromotopsentin is C20H13BrN4O2.
What is the molecular weight of Bromotopsentin?
The molecular weight of Bromotopsentin is 420.02 g/mol.
Where can I buy Bromotopsentin?
You can request a quote for Bromotopsentin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromotopsentin?
Yes, KEHONG BIO provides custom synthesis services for Bromotopsentin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.