N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride
TL;DR: N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride (CAS 70700-63-9) is a chemical compound with molecular formula C20H36ClNS and molecular weight 357.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dodecylsulfanylmethyl)-3,5-dimethylpyridin-1-ium chloride
Also Known As: N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride, 1-(Dodecylthiomethyl)-3,5-dimethylpyridine chloride, N-DODECYLTHIOMETHYL-3,5-DIMETHYLPYRIDINIUM, CHL*, 1-(dodecylsulfanylmethyl)-3,5-dimethylpyridin-1-ium chloride, 1-[(Dodecylsulfanyl)methyl]-3,5-dimethylpyridin-1-ium chloride
| Molecular Formula | C20H36ClNS |
|---|---|
| Molecular Weight | 357.23 g/mol |
| LogP | 3.21 |
| Topological Polar Surface Area | 29.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 357.2257 |
| Heavy Atoms | 23 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 70700-63-9 |
|---|---|
| SMILES | CCCCCCCCCCCCSC[N+]1=CC(=CC(=C1)C)C.[Cl-] |
| InChIKey | VEMHMQJBYZUKCH-UHFFFAOYSA-M |
Product Overview
N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride (CAS 70700-63-9), with molecular formula C20H36ClNS and molecular weight 357.23 g/mol. IUPAC: 1-(dodecylsulfanylmethyl)-3,5-dimethylpyridin-1-ium chloride.
Chemical Property Profile of N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride
Property Insights of N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride
The XLogP value of 3.21 indicates that N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.2 Ų, N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride 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 N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride?
The CAS number of N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride is 70700-63-9.
What is the molecular formula of N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride?
The molecular formula of N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride is C20H36ClNS.
What is the molecular weight of N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride?
The molecular weight of N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride is 357.23 g/mol.
Where can I buy N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride?
You can request a quote for N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride?
Yes, KEHONG BIO provides custom synthesis services for N-Dodecylthiomethyl-3,5-dimethylpyridinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.