C21H24BrNOS
TL;DR: C21H24BrNOS (CAS 1035495-78-3) is a chemical compound with molecular formula C21H24BrNOS and molecular weight 417.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C21H24BrNOS |
|---|---|
| Molecular Weight | 417.08 g/mol |
| LogP | 1.5531 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 417.0762 |
| Heavy Atoms | 25 |
| Complexity | 825.9265 |
Chemical Identifiers
| CAS Number | 1035495-78-3 |
|---|---|
| SMILES | CC[N+]1(CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1)C.[Br-] |
Product Overview
C21H24BrNOS (CAS 1035495-78-3), with molecular formula C21H24BrNOS and molecular weight 417.08 g/mol. IUPAC: 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.
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 17.07 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 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 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 417.08 g/mol.
Where can I buy C21H24BrNOS?
You can request a quote for C21H24BrNOS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H24BrNOS?
Yes, KEHONG BIO provides custom synthesis services for C21H24BrNOS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.