C21H24BrNOS
TL;DR: C21H24BrNOS (CAS 1035495-78-3) is a chemical compound with molecular formula C21H24BrNOS and molecular weight 417.0762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-ethyl-1-methylpiperidin-1-ium-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one bromide
Also Known As: 1-ethyl-1-methyl-4-(10-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)piperidin-1-ium bromide, 1-Ethyl-1-methyl-4-(10-oxo-9,10-dihydro-1-thia-benzo[f]azulen-4-ylidene)-piperidinium
Technical Specifications
| Molecular Formula | C21H24BrNOS |
| Molecular Weight | 417.0762 g/mol |
| XLogP | 1.5531 |
| Topological Polar Surface Area (TPSA) | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 417.0762 Da |
| Heavy Atoms | 25 |
| Complexity | 530.0 |
| SMILES | CC[N+]1(CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1)C.[Br-] |
| InChIKey | NKTYUUDCGUVMDL-UHFFFAOYSA-M |
Chemical Property Profile of C21H24BrNOS
Property Insights of C21H24BrNOS
The XLogP value of 1.5531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H24BrNOS. With a topological polar surface area (TPSA) of 45.3 Ų, C21H24BrNOS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H24BrNOS has 0 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 C21H24BrNOS?
The CAS number of C21H24BrNOS is 1035495-78-3.
What is the molecular formula of C21H24BrNOS?
The molecular formula of C21H24BrNOS is C21H24BrNOS.
What is the molecular weight of C21H24BrNOS?
The molecular weight of C21H24BrNOS is 417.0762 g/mol.
Where can I buy C21H24BrNOS?
You can request a quote for C21H24BrNOS directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C21H24BrNOS?
Yes, CoreyChem provides custom synthesis services for C21H24BrNOS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.