RefChem:318686
TL;DR: RefChem:318686 (CAS 5564-14-7) is a chemical compound with molecular formula C16H26I2N2S and molecular weight 531.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-dimethylsulfonio-1H-indol-3-yl)propan-2-yl-trimethylazanium diiodide
Also Known As: 5-Methylthio-3-(2-dimethylaminopropyl)indole dimethyiodide monohydrate, Ammonium, (1-(5-dimethylsulfonio-3-indolyl)-2-propyl)trimethyl-, diiodide, hydrate, 1-(5-Dimethylsulfonio-1H-indol-3-yl)propan-2-yl-trimethylazaniumdiiodide, 1-(5-dimethylsulfonio-1H-indol-3-yl)propan-2-yl-trimethylazanium diiodide, Dimethyl{3-[2-(trimethylazaniumyl)propyl]-1H-indol-5-yl}sulfanium diiodide
| Molecular Formula | C16H26I2N2S |
|---|---|
| Molecular Weight | 531.99 g/mol |
| LogP | -2.95 |
| Topological Polar Surface Area | 16.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 531.9906 |
| Heavy Atoms | 21 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 5564-14-7 |
|---|---|
| SMILES | CC(CC1=CNC2=C1C=C(C=C2)[S+](C)C)[N+](C)(C)C.[I-].[I-] |
| InChIKey | GMLSBNSOTOCJIX-UHFFFAOYSA-L |
Product Overview
RefChem:318686 (CAS 5564-14-7), with molecular formula C16H26I2N2S and molecular weight 531.99 g/mol. IUPAC: 1-(5-dimethylsulfonio-1H-indol-3-yl)propan-2-yl-trimethylazanium diiodide.
Chemical Property Profile of RefChem:318686
Property Insights of RefChem:318686
The XLogP value of -2.95 indicates that RefChem:318686 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 16.8 Ų, RefChem:318686 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318686 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:318686?
The CAS number of RefChem:318686 is 5564-14-7.
What is the molecular formula of RefChem:318686?
The molecular formula of RefChem:318686 is C16H26I2N2S.
What is the molecular weight of RefChem:318686?
The molecular weight of RefChem:318686 is 531.99 g/mol.
Where can I buy RefChem:318686?
You can request a quote for RefChem:318686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318686?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.