(4-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium
TL;DR: (4-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium (CAS 4304-40-9) is a chemical compound with molecular formula C21H24ClNO4S2 and molecular weight 453.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium
Also Known As: Bancaris, Thenium closilate, (4-chlorophenyl) sulfite; dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium, 2-Thiophenemethanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, 4-chlorobenzenesulfonate (1:1)
| Molecular Formula | C21H24ClNO4S2 |
|---|---|
| Molecular Weight | 453.08 g/mol |
| LogP | 4.92 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.08353 |
| Heavy Atoms | 29 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 4304-40-9 |
|---|---|
| SMILES | C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CS2.C1=CC(=CC=C1OS(=O)[O-])Cl |
| InChIKey | WZDNYEOVHXYLBX-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium (CAS 4304-40-9), with molecular formula C21H24ClNO4S2 and molecular weight 453.08 g/mol. IUPAC: (4-chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium.
Chemical Property Profile of (4-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium
Property Insights of (4-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium
The XLogP value of 4.92 indicates that (4-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium. Following Lipinski's Rule of Five, (4-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium has 0 hydrogen bond donor(s) and 6 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-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium?
The CAS number of (4-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium is 4304-40-9.
What is the molecular formula of (4-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium?
The molecular formula of (4-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium is C21H24ClNO4S2.
What is the molecular weight of (4-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium?
The molecular weight of (4-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium is 453.08 g/mol.
Where can I buy (4-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium?
You can request a quote for (4-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl) sulfite;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.