Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate
TL;DR: Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate (CAS 64046-03-3) is a chemical compound with molecular formula C13H21IN2O2 and molecular weight 364.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-[3-(methylcarbamoyloxy)phenyl]ethyl]azanium iodide
Also Known As: T-1887, T-1939, Carbamic acid, methyl-, 3-(beta-(trimethylammonio)ethyl)phenyl ester, iodide, Ammonium, (3-(N-methylcarbamoyloxy)phenethyl)trimethyl-, iodide, AMMONIUM, (3-HYDROXYPHENETHYL)TRIMETHYL-, IODIDE, METHYLCARBAMATE
| Molecular Formula | C13H21IN2O2 |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | -1.34 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.0648 |
| Heavy Atoms | 18 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 64046-03-3 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC(=C1)CC[N+](C)(C)C.[I-] |
| InChIKey | YGYAPZFYNAXISW-UHFFFAOYSA-N |
Product Overview
Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate (CAS 64046-03-3), with molecular formula C13H21IN2O2 and molecular weight 364.06 g/mol. IUPAC: trimethyl-[2-[3-(methylcarbamoyloxy)phenyl]ethyl]azanium iodide.
Chemical Property Profile of Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate
Property Insights of Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate
The XLogP value of -1.34 indicates that Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.3 Ų, Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate has 1 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, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate?
The CAS number of Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate is 64046-03-3.
What is the molecular formula of Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate?
The molecular formula of Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate is C13H21IN2O2.
What is the molecular weight of Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate?
The molecular weight of Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate is 364.06 g/mol.
Where can I buy Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate?
You can request a quote for Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.