Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate
TL;DR: Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate (CAS 3854-12-4) is a chemical compound with molecular formula C10H19IN2O2 and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylcarbamoyloxy)but-2-ynyl-trimethylazanium iodide
Also Known As: (4-Dimethylcarbamoyloxybut-2-ynyl)trimethylammonium iodide, Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate, 2-Butyn-1-aminium, 4-(((dimethylamino)carbonyl)oxy)-N,N,N-trimethyl-, iodide, 4-(dimethylcarbamoyloxy)but-2-ynyl-trimethylazanium iodide, 4-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylbut-2-yn-1-aminium iodide
| Molecular Formula | C10H19IN2O2 |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | -2.6018 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.04913 |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 3854-12-4 |
|---|---|
| SMILES | CN(C)C(=O)OCC#CC[N+](C)(C)C.[I-] |
| InChIKey | USRHNSQGCRITPL-UHFFFAOYSA-M |
Product Overview
Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate (CAS 3854-12-4), with molecular formula C10H19IN2O2 and molecular weight 326.05 g/mol. IUPAC: 4-(dimethylcarbamoyloxy)but-2-ynyl-trimethylazanium iodide.
Chemical Property Profile of Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate
Property Insights of Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate
The XLogP value of -2.6018 indicates that Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.5 Ų, Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate 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 Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate?
The CAS number of Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate is 3854-12-4.
What is the molecular formula of Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate?
The molecular formula of Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate is C10H19IN2O2.
What is the molecular weight of Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate?
The molecular weight of Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate is 326.05 g/mol.
Where can I buy Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate?
You can request a quote for Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (4-hydroxy-2-butynyl)trimethyl-, iodide, dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.