Isobromodeoxytopsentin
TL;DR: Isobromodeoxytopsentin (CAS 223596-72-3) 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.
(6-bromo-1H-indol-3-yl)-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone
Also Known As: Isobromodeoxytopsentin, spongotine B, NCI60_039304, J1.088.141B, (6-bromo-1H-indol-3-yl)-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone
| 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 | 223596-72-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C3=CN=C(N3)C(=O)C4=CNC5=C4C=CC(=C5)Br |
| InChIKey | BEDNSRVQPOJNPU-UHFFFAOYSA-N |
Product Overview
Isobromodeoxytopsentin (CAS 223596-72-3), with molecular formula C20H13BrN4O and molecular weight 404.03 g/mol. IUPAC: (6-bromo-1H-indol-3-yl)-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone.
Chemical Property Profile of Isobromodeoxytopsentin
Property Insights of Isobromodeoxytopsentin
The XLogP value of 4.3 indicates that Isobromodeoxytopsentin 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 Isobromodeoxytopsentin. Following Lipinski's Rule of Five, Isobromodeoxytopsentin 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 Isobromodeoxytopsentin?
The CAS number of Isobromodeoxytopsentin is 223596-72-3.
What is the molecular formula of Isobromodeoxytopsentin?
The molecular formula of Isobromodeoxytopsentin is C20H13BrN4O.
What is the molecular weight of Isobromodeoxytopsentin?
The molecular weight of Isobromodeoxytopsentin is 404.03 g/mol.
Where can I buy Isobromodeoxytopsentin?
You can request a quote for Isobromodeoxytopsentin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobromodeoxytopsentin?
Yes, KEHONG BIO provides custom synthesis services for Isobromodeoxytopsentin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.