Cyclobrassinone
TL;DR: Cyclobrassinone (CAS 156953-82-1) is a chemical compound with molecular formula C11H8N2O2S and molecular weight 232.03065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxy-9H-[1,3]thiazino[6,5-b]indol-4-one
Also Known As: Cyclobrassinone, 2-methoxy-9H-[1,3]thiazino[6,5-b]indol-4-one, 1,3-Thiazino[6,5-b]indol-4(9H)-one, 2-methoxy-, J1.586.576H, 2-Methoxy-[1,3]thiazino[6,5-b]indol-4(9H)-one
Technical Specifications
| Molecular Formula | C11H8N2O2S |
| Molecular Weight | 232.03065 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.03065 Da |
| Heavy Atoms | 16 |
| Complexity | 345.0 |
| SMILES | COC1=NC(=O)C2=C(S1)NC3=CC=CC=C32 |
| InChIKey | YCFLCHMHGBXTCU-UHFFFAOYSA-N |
Chemical Property Profile of Cyclobrassinone
Property Insights of Cyclobrassinone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclobrassinone. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclobrassinone. Following Lipinski's Rule of Five, Cyclobrassinone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cyclobrassinone?
The CAS number of Cyclobrassinone is 156953-82-1.
What is the molecular formula of Cyclobrassinone?
The molecular formula of Cyclobrassinone is C11H8N2O2S.
What is the molecular weight of Cyclobrassinone?
The molecular weight of Cyclobrassinone is 232.03065 g/mol.
Where can I buy Cyclobrassinone?
You can request a quote for Cyclobrassinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclobrassinone?
Yes, CoreyChem provides custom synthesis services for Cyclobrassinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.