![3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium structure](/static/products/1418/14188-11-5.webp)
3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium
TL;DR: 3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium (CAS 14188-11-5) is a chemical compound with molecular formula C21H28NO2S+ and molecular weight 358.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2-benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium
Also Known As: 3-[2-(2-benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium, 3-[2-(2-benzylsulfanylphenyl)acetyl]oxypropyl-trimethyl-azanium
| Molecular Formula | C21H28NO2S+ |
|---|---|
| Molecular Weight | 358.18 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 358.18408 |
| Heavy Atoms | 25 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 14188-11-5 |
|---|---|
| SMILES | C[N+](C)(C)CCCOC(=O)CC1=CC=CC=C1SCC2=CC=CC=C2 |
| InChIKey | UJJDCNDKLHJXIK-UHFFFAOYSA-N |
Product Overview
3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium (CAS 14188-11-5), with molecular formula C21H28NO2S+ and molecular weight 358.18 g/mol. IUPAC: 3-[2-(2-benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium.
Chemical Property Profile of 3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium
Property Insights of 3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium
The XLogP value of 4.1 indicates that 3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium 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 3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium?
The CAS number of 3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium is 14188-11-5.
What is the molecular formula of 3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium?
The molecular formula of 3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium is C21H28NO2S+.
What is the molecular weight of 3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium?
The molecular weight of 3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium is 358.18 g/mol.
Where can I buy 3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium?
You can request a quote for 3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(2-Benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.