替喹溴铵
TL;DR: 替喹溴铵 (CAS 71731-58-3) is a chemical compound with molecular formula C19H24BrNS2 and molecular weight 409.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
替喹溴铵
(5R,9aR)-7-(dithiophen-2-ylmethylidene)-5-methyl-1,2,3,4,6,8,9,9a-octahydroquinolizin-5-ium bromide
Also Known As: tiquizium bromide, Thiaton, Tiquizii bromidum, Bromuro de tiquizio, Bromure de tiquizium
| Molecular Formula | C19H24BrNS2 |
|---|---|
| Molecular Weight | 409.05 g/mol |
| LogP | 2.41 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.05334 |
| Heavy Atoms | 23 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 71731-58-3 |
|---|---|
| SMILES | C[N@+]12CCCC[C@@H]1CCC(=C(C3=CC=CS3)C4=CC=CS4)C2.[Br-] |
| InChIKey | VKBNGRDAHSELMQ-KYSFMIDTSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
替喹溴铵 (CAS 71731-58-3), with molecular formula C19H24BrNS2 and molecular weight 409.05 g/mol. IUPAC: (5R,9aR)-7-(dithiophen-2-ylmethylidene)-5-methyl-1,2,3,4,6,8,9,9a-octahydroquinolizin-5-ium bromide.
Chemical Property Profile of 替喹溴铵
Property Insights of 替喹溴铵
The XLogP value of 2.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 替喹溴铵. With a topological polar surface area (TPSA) of 56.5 Ų, 替喹溴铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 替喹溴铵 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
Frequently Asked Questions
What is the CAS number of 替喹溴铵?
The CAS number of 替喹溴铵 is 71731-58-3.
What is the molecular formula of 替喹溴铵?
The molecular formula of 替喹溴铵 is C19H24BrNS2.
What is the molecular weight of 替喹溴铵?
The molecular weight of 替喹溴铵 is 409.05 g/mol.
Where can I buy 替喹溴铵?
You can request a quote for 替喹溴铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 替喹溴铵?
Yes, KEHONG BIO provides custom synthesis services for 替喹溴铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.