Bromodeoxytopsentin
TL;DR: Bromodeoxytopsentin (CAS 180633-55-0) is a chemical compound with molecular formula C20H13BrN4O and molecular weight 404.03 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]-(1H-indol-3-yl)methanone
Also Known As: Bromodeoxytopsentin, spongotine A, Deoxytopsentin B-2, 6 -Deoxybromotopsentin, NCI60_039303
| Molecular Formula | C20H13BrN4O |
|---|---|
| Molecular Weight | 404.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.02728 |
| Heavy Atoms | 26 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 180633-55-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(=O)C3=NC=C(N3)C4=CNC5=C4C=CC(=C5)Br |
| InChIKey | RMAWSNVDVKZXDX-UHFFFAOYSA-N |
Product Overview
Bromodeoxytopsentin (CAS 180633-55-0), with molecular formula C20H13BrN4O and molecular weight 404.03 g/mol. IUPAC: [5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone.
Chemical Property Profile of Bromodeoxytopsentin
Property Insights of Bromodeoxytopsentin
The XLogP value of 4.3 indicates that Bromodeoxytopsentin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromodeoxytopsentin. Following Lipinski's Rule of Five, Bromodeoxytopsentin has 3 hydrogen bond donor(s) and 2 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 Bromodeoxytopsentin?
The CAS number of Bromodeoxytopsentin is 180633-55-0.
What is the molecular formula of Bromodeoxytopsentin?
The molecular formula of Bromodeoxytopsentin is C20H13BrN4O.
What is the molecular weight of Bromodeoxytopsentin?
The molecular weight of Bromodeoxytopsentin is 404.03 g/mol.
Where can I buy Bromodeoxytopsentin?
You can request a quote for Bromodeoxytopsentin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromodeoxytopsentin?
Yes, KEHONG BIO provides custom synthesis services for Bromodeoxytopsentin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.