1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide
TL;DR: 1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide (CAS 4167-93-5) is a chemical compound with molecular formula C15H20BrNS2 and molecular weight 357.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethyl-3,3-dithiophen-2-ylpiperidin-1-ium bromide
Also Known As: 1,1-dimethyl-3,3-di(thiophen-2-yl)piperidinium bromide, N-Methyl-3-piperidylidenedithienylmethane methobromide, 1,1-Dimethyl-3-(di-2-thienylmethylene)piperidinium bromide, Piperidinium, 1,1-dimethyl-3-(di-2-thienylmethylene)-, bromide, 1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide
| Molecular Formula | C15H20BrNS2 |
|---|---|
| Molecular Weight | 357.02 g/mol |
| LogP | 0.9699 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.02206 |
| Heavy Atoms | 19 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 4167-93-5 |
|---|---|
| SMILES | C[N+]1(CCCC(C1)(C2=CC=CS2)C3=CC=CS3)C.[Br-] |
| InChIKey | GSBBBPNTJJUWEG-UHFFFAOYSA-M |
Product Overview
1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide (CAS 4167-93-5), with molecular formula C15H20BrNS2 and molecular weight 357.02 g/mol. IUPAC: 1,1-dimethyl-3,3-dithiophen-2-ylpiperidin-1-ium bromide.
Chemical Property Profile of 1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide
Property Insights of 1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide
The XLogP value of 0.9699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide. With a topological polar surface area (TPSA) of 56.5 Ų, 1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide 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 1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide?
The CAS number of 1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide is 4167-93-5.
What is the molecular formula of 1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide?
The molecular formula of 1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide is C15H20BrNS2.
What is the molecular weight of 1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide?
The molecular weight of 1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide is 357.02 g/mol.
Where can I buy 1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide?
You can request a quote for 1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethyl-3,3-di(thiophen-2-yl)piperidin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.