Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride
TL;DR: Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride (CAS 7349-45-3) is a chemical compound with molecular formula C13H17Cl2NS and molecular weight 289.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzothiophen-3-ylmethyl-(2-chloroethyl)-ethylazanium chloride
Also Known As: BENZO(b)THIOPHENE-3-METHYLAMINE, N-(2-CHLOROETHYL)-N-ETHYL-, HYDROCHLORIDE, N-(2-Chloroethyl)-N-ethylbenzo(b)thiophene-3-methylamine hydrochloride, Benzo(b)thiophene-3-methanamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride, 1-benzothiophen-3-ylmethyl-(2-chloroethyl)-ethylazanium chloride, 1-benzothiophen-3-ylmethyl-(2-chloroethyl)-ethylazanium;chloride
| Molecular Formula | C13H17Cl2NS |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | -0.45 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.04587 |
| Heavy Atoms | 17 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 7349-45-3 |
|---|---|
| SMILES | CC[NH+](CCCl)CC1=CSC2=CC=CC=C21.[Cl-] |
| InChIKey | SHJSEQUNRLPPOL-UHFFFAOYSA-N |
Product Overview
Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride (CAS 7349-45-3), with molecular formula C13H17Cl2NS and molecular weight 289.05 g/mol. IUPAC: 1-benzothiophen-3-ylmethyl-(2-chloroethyl)-ethylazanium chloride.
Chemical Property Profile of Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride
Property Insights of Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride
The XLogP value of -0.45 indicates that Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.7 Ų, Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride has 1 hydrogen bond donor(s) and 2 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 Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride?
The CAS number of Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride is 7349-45-3.
What is the molecular formula of Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride?
The molecular formula of Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride is C13H17Cl2NS.
What is the molecular weight of Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride?
The molecular weight of Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride is 289.05 g/mol.
Where can I buy Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride?
You can request a quote for Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.