N-辛硫基甲基-3,5-二甲基吡啶氯化物
TL;DR: N-辛硫基甲基-3,5-二甲基吡啶氯化物 (CAS 70700-62-8) is a chemical compound with molecular formula C16H28ClNS and molecular weight 301.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-辛硫基甲基-3,5-二甲基吡啶氯化物
3,5-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium chloride
Also Known As: N-Octylthiomethyl-3,5-dimethylpyridinium chloride, 3,5-Dimethyl-1-(octylthiomethyl)pyridin-1-ium chloride, N-OCTYLTHIOMETHYL-3,5-DIMETHYLPYRIDINIUM, CHLOR*, 3,5-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium chloride, 3,5-Dimethyl-1-[(octylsulfanyl)methyl]pyridin-1-ium chloride
| Molecular Formula | C16H28ClNS |
|---|---|
| Molecular Weight | 301.16 g/mol |
| LogP | 1.65 |
| Topological Polar Surface Area | 29.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 301.1631 |
| Heavy Atoms | 19 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 70700-62-8 |
|---|---|
| SMILES | CCCCCCCCSC[N+]1=CC(=CC(=C1)C)C.[Cl-] |
| InChIKey | SZIHXKBVPMHTDX-UHFFFAOYSA-M |
Product Overview
N-辛硫基甲基-3,5-二甲基吡啶氯化物 (CAS 70700-62-8), with molecular formula C16H28ClNS and molecular weight 301.16 g/mol. IUPAC: 3,5-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium chloride.
Chemical Property Profile of N-辛硫基甲基-3,5-二甲基吡啶氯化物
Property Insights of N-辛硫基甲基-3,5-二甲基吡啶氯化物
The XLogP value of 1.65 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-辛硫基甲基-3,5-二甲基吡啶氯化物. With a topological polar surface area (TPSA) of 29.2 Ų, N-辛硫基甲基-3,5-二甲基吡啶氯化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-辛硫基甲基-3,5-二甲基吡啶氯化物 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-辛硫基甲基-3,5-二甲基吡啶氯化物?
The CAS number of N-辛硫基甲基-3,5-二甲基吡啶氯化物 is 70700-62-8.
What is the molecular formula of N-辛硫基甲基-3,5-二甲基吡啶氯化物?
The molecular formula of N-辛硫基甲基-3,5-二甲基吡啶氯化物 is C16H28ClNS.
What is the molecular weight of N-辛硫基甲基-3,5-二甲基吡啶氯化物?
The molecular weight of N-辛硫基甲基-3,5-二甲基吡啶氯化物 is 301.16 g/mol.
Where can I buy N-辛硫基甲基-3,5-二甲基吡啶氯化物?
You can request a quote for N-辛硫基甲基-3,5-二甲基吡啶氯化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-辛硫基甲基-3,5-二甲基吡啶氯化物?
Yes, KEHONG BIO provides custom synthesis services for N-辛硫基甲基-3,5-二甲基吡啶氯化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.