Ammonium, (3-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate
TL;DR: Ammonium, (3-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate (CAS 18659-39-7) is a chemical compound with molecular formula C14H23IN2O2 and molecular weight 378.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-(methylcarbamoyloxy)-5-propan-2-ylphenyl]azanium iodide
Also Known As: Carbamic acid, methyl-, (3-trimethylammonio-m-cumenyl) ester, iodide, Ammonium, (3-methylcarbamoyloxy-m-cumenyl)trimethyl-, iodide, Ammonium, (3-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate, Carbamic acid, N-methyl-, 3-isopropyl-5-dimethylaminophenyl ester, methiodide, trimethyl-[3-(methylcarbamoyloxy)-5-propan-2-ylphenyl]azanium;iodide
| Molecular Formula | C14H23IN2O2 |
|---|---|
| Molecular Weight | 378.08 g/mol |
| LogP | -0.27 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.08044 |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 18659-39-7 |
|---|---|
| SMILES | CC(C)C1=CC(=CC(=C1)OC(=O)NC)[N+](C)(C)C.[I-] |
| InChIKey | VLKKIGVQMLSFCX-UHFFFAOYSA-N |
Product Overview
Ammonium, (3-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate (CAS 18659-39-7), with molecular formula C14H23IN2O2 and molecular weight 378.08 g/mol. IUPAC: trimethyl-[3-(methylcarbamoyloxy)-5-propan-2-ylphenyl]azanium iodide.
Chemical Property Profile of Ammonium, (3-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate
Property Insights of Ammonium, (3-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate
The XLogP value of -0.27 indicates that Ammonium, (3-hydroxy-m-cumenyl)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-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (3-hydroxy-m-cumenyl)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-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate?
The CAS number of Ammonium, (3-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate is 18659-39-7.
What is the molecular formula of Ammonium, (3-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate?
The molecular formula of Ammonium, (3-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate is C14H23IN2O2.
What is the molecular weight of Ammonium, (3-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate?
The molecular weight of Ammonium, (3-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate is 378.08 g/mol.
Where can I buy Ammonium, (3-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate?
You can request a quote for Ammonium, (3-hydroxy-m-cumenyl)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-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (3-hydroxy-m-cumenyl)trimethyl-, iodide, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.