Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate
TL;DR: Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate (CAS 14200-08-9) is a chemical compound with molecular formula C21H28INO2S and molecular weight 485.09 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 iodide
Also Known As: (3-Hydroxypropyl)trimethylammonium iodide (o-(benzylthio)phenyl)acetate, 3-[2-(2-benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium iodide, AMMONIUM, (3-HYDROXYPROPYL)TRIMETHYL-, IODIDE, (o-(BENZYLTHIO)PHENYL)ACETATE, 3-({[2-(Benzylsulfanyl)phenyl]acetyl}oxy)-N,N,N-trimethylpropan-1-aminium iodide, RefChem:318886
| Molecular Formula | C21H28INO2S |
|---|---|
| Molecular Weight | 485.09 g/mol |
| LogP | 1.16 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 485.08856 |
| Heavy Atoms | 26 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 14200-08-9 |
|---|---|
| SMILES | C[N+](C)(C)CCCOC(=O)CC1=CC=CC=C1SCC2=CC=CC=C2.[I-] |
| InChIKey | HOZBAAJLWGSCSU-UHFFFAOYSA-M |
Product Overview
Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate (CAS 14200-08-9), with molecular formula C21H28INO2S and molecular weight 485.09 g/mol. IUPAC: 3-[2-(2-benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium iodide.
Chemical Property Profile of Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate
Property Insights of Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate
The XLogP value of 1.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate. With a topological polar surface area (TPSA) of 51.6 Ų, Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate has 0 hydrogen bond donor(s) and 4 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 Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate?
The CAS number of Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate is 14200-08-9.
What is the molecular formula of Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate?
The molecular formula of Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate is C21H28INO2S.
What is the molecular weight of Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate?
The molecular weight of Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate is 485.09 g/mol.
Where can I buy Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate?
You can request a quote for Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (3-hydroxypropyl)trimethyl-, iodide, (o-(benzylthio)phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.