2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride
TL;DR: 2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride (CAS 28462-89-7) is a chemical compound with molecular formula C13H18ClNOS and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methoxy-1-benzothiophen-3-yl)ethyl-dimethylazanium chloride
Also Known As: 2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride, 2-(5-methoxy-1-benzothiophen-3-yl)ethyl-dimethylazanium chloride, Benzo[b]thiophene-3-ethanamine, 5-methoxy-N,N-dimethyl-, hydrochloride, BENZO(b)THIOPHENE-3-ETHYLAMINE, N,N-DIMETHYL-5-METHOXY-, HYDROCHLORIDE
| Molecular Formula | C13H18ClNOS |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.07977 |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 28462-89-7 |
|---|---|
| SMILES | C[NH+](C)CCC1=CSC2=C1C=C(C=C2)OC.[Cl-] |
| InChIKey | OJBWQCAGZWPUSE-UHFFFAOYSA-N |
Product Overview
2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride (CAS 28462-89-7), with molecular formula C13H18ClNOS and molecular weight 271.08 g/mol. IUPAC: 2-(5-methoxy-1-benzothiophen-3-yl)ethyl-dimethylazanium chloride.
Chemical Property Profile of 2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride
Property Insights of 2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride
The XLogP value of -1.4 indicates that 2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.9 Ų, 2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride 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 2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride?
The CAS number of 2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride is 28462-89-7.
What is the molecular formula of 2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride?
The molecular formula of 2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride is C13H18ClNOS.
What is the molecular weight of 2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride?
The molecular weight of 2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride is 271.08 g/mol.
Where can I buy 2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride?
You can request a quote for 2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.