Topsentin
TL;DR: Topsentin (CAS 112515-43-2) is a chemical compound with molecular formula C20H14N4O2 and molecular weight 342.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-hydroxy-1H-indol-3-yl)-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone
Also Known As: Topsentin, Topsentine B 1, topsentin-B1, Topsentin B1, Topsentine B-1
| Molecular Formula | C20H14N4O2 |
|---|---|
| Molecular Weight | 342.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.11166 |
| Heavy Atoms | 26 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 112515-43-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C3=CN=C(N3)C(=O)C4=CNC5=C4C=CC(=C5)O |
| InChIKey | TVPNFKRGOFJQOO-UHFFFAOYSA-N |
Product Overview
Topsentin (CAS 112515-43-2), with molecular formula C20H14N4O2 and molecular weight 342.11 g/mol. IUPAC: (6-hydroxy-1H-indol-3-yl)-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone.
Chemical Property Profile of Topsentin
Property Insights of Topsentin
The XLogP value of 3.3 indicates that Topsentin 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 Topsentin. Following Lipinski's Rule of Five, Topsentin 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 Topsentin?
The CAS number of Topsentin is 112515-43-2.
What is the molecular formula of Topsentin?
The molecular formula of Topsentin is C20H14N4O2.
What is the molecular weight of Topsentin?
The molecular weight of Topsentin is 342.11 g/mol.
Where can I buy Topsentin?
You can request a quote for Topsentin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Topsentin?
Yes, KEHONG BIO provides custom synthesis services for Topsentin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.