4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium
TL;DR: 4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium (CAS 57302-66-6) is a chemical compound with molecular formula C14H18ClIN2O2 and molecular weight 408.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium iodide
Also Known As: 4-Cl-Mcn-A-343, 4-2-butynyl-trimethylammonium, 1,2-Epimino-1,2-dimethylcyclohexan, 2-Butyn-1-aminium, 4-((((4-chlorophenyl)amino)carbonyl)oxy)-N,N,N-trimethyl-, iodide, 4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium
| Molecular Formula | C14H18ClIN2O2 |
|---|---|
| Molecular Weight | 408.01 g/mol |
| LogP | -0.3979 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.01016 |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 57302-66-6 |
|---|---|
| SMILES | C[N+](C)(C)CC#CCOC(=O)NC1=CC=C(C=C1)Cl.[I-] |
| InChIKey | ALPGRADTLIWFGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium (CAS 57302-66-6), with molecular formula C14H18ClIN2O2 and molecular weight 408.01 g/mol. IUPAC: 4-[(4-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium iodide.
Chemical Property Profile of 4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium
Property Insights of 4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium
The XLogP value of -0.3979 indicates that 4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium 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, 4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium 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 4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium?
The CAS number of 4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium is 57302-66-6.
What is the molecular formula of 4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium?
The molecular formula of 4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium is C14H18ClIN2O2.
What is the molecular weight of 4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium?
The molecular weight of 4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium is 408.01 g/mol.
Where can I buy 4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium?
You can request a quote for 4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenylcarbamoyloxy)-2-butynyl-trimethylammonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.