![1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide structure](/static/products/5664/5664-40-4.webp)
1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide
TL;DR: 1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide (CAS 5664-40-4) is a chemical compound with molecular formula C15H19IN2S and molecular weight 386.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(piperidin-1-ium-1-ylidenemethylsulfanylmethyl)-1H-indole iodide
Also Known As: KST-1B5689, 1-{[(1h-indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide, Piperidinium, 1-(3-indolyl(methylthio)methylene)-, iodide, (Indolyl-3')-1 methylthio piperidiniminium-1 methane (iodure) [French], 3-(piperidin-1-ium-1-ylidenemethylsulfanylmethyl)-1H-indole iodide
| Molecular Formula | C15H19IN2S |
|---|---|
| Molecular Weight | 386.03 g/mol |
| LogP | 0.63 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.03137 |
| Heavy Atoms | 19 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 5664-40-4 |
|---|---|
| SMILES | C1CC[N+](=CSCC2=CNC3=CC=CC=C32)CC1.[I-] |
| InChIKey | TVXDEIXNOAMUFA-UHFFFAOYSA-M |
Product Overview
1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide (CAS 5664-40-4), with molecular formula C15H19IN2S and molecular weight 386.03 g/mol. IUPAC: 3-(piperidin-1-ium-1-ylidenemethylsulfanylmethyl)-1H-indole iodide.
Chemical Property Profile of 1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide
Property Insights of 1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide
The XLogP value of 0.63 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide. With a topological polar surface area (TPSA) of 44.1 Ų, 1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide has 1 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 1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide?
The CAS number of 1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide is 5664-40-4.
What is the molecular formula of 1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide?
The molecular formula of 1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide is C15H19IN2S.
What is the molecular weight of 1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide?
The molecular weight of 1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide is 386.03 g/mol.
Where can I buy 1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide?
You can request a quote for 1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-{[(1h-Indol-3-ylmethyl)sulfanyl]methylidene}piperidinium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.