Benzo(b)thiophene-3-ethylamine, 5-bromo-N-methyl-, hydrochloride
TL;DR: Benzo(b)thiophene-3-ethylamine, 5-bromo-N-methyl-, hydrochloride (CAS 22964-02-9) is a chemical compound with molecular formula C11H13BrClNS and molecular weight 304.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromo-1-benzothiophen-3-yl)ethyl-methylazanium chloride
Also Known As: 5-Bromo-N-methylbenzo(b)thiophene-3-ethylamine, hydrochloride, 2-(5-bromo-1-benzothiophen-3-yl)ethyl-methylazanium chloride, BENZO(b)THIOPHENE-3-ETHYLAMINE, 5-BROMO-N-METHYL-, HYDROCHLORIDE, Benzo[b]thiophene-3-ethanamine, 5-bromo-N-methyl-, hydrochloride, Benzo[b]thiophene-3-ethylamine, 5-bromo-N-methyl-, hydrochloride
| Molecular Formula | C11H13BrClNS |
|---|---|
| Molecular Weight | 304.96 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 44.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.96405 |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 22964-02-9 |
|---|---|
| SMILES | C[NH2+]CCC1=CSC2=C1C=C(C=C2)Br.[Cl-] |
| InChIKey | VLNWDJONOVINKT-UHFFFAOYSA-N |
Product Overview
Benzo(b)thiophene-3-ethylamine, 5-bromo-N-methyl-, hydrochloride (CAS 22964-02-9), with molecular formula C11H13BrClNS and molecular weight 304.96 g/mol. IUPAC: 2-(5-bromo-1-benzothiophen-3-yl)ethyl-methylazanium chloride.
Chemical Property Profile of Benzo(b)thiophene-3-ethylamine, 5-bromo-N-methyl-, hydrochloride
Property Insights of Benzo(b)thiophene-3-ethylamine, 5-bromo-N-methyl-, hydrochloride
The XLogP value of -0.6 indicates that Benzo(b)thiophene-3-ethylamine, 5-bromo-N-methyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.9 Ų, Benzo(b)thiophene-3-ethylamine, 5-bromo-N-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene-3-ethylamine, 5-bromo-N-methyl-, 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-ethylamine, 5-bromo-N-methyl-, hydrochloride?
The CAS number of Benzo(b)thiophene-3-ethylamine, 5-bromo-N-methyl-, hydrochloride is 22964-02-9.
What is the molecular formula of Benzo(b)thiophene-3-ethylamine, 5-bromo-N-methyl-, hydrochloride?
The molecular formula of Benzo(b)thiophene-3-ethylamine, 5-bromo-N-methyl-, hydrochloride is C11H13BrClNS.
What is the molecular weight of Benzo(b)thiophene-3-ethylamine, 5-bromo-N-methyl-, hydrochloride?
The molecular weight of Benzo(b)thiophene-3-ethylamine, 5-bromo-N-methyl-, hydrochloride is 304.96 g/mol.
Where can I buy Benzo(b)thiophene-3-ethylamine, 5-bromo-N-methyl-, hydrochloride?
You can request a quote for Benzo(b)thiophene-3-ethylamine, 5-bromo-N-methyl-, 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-ethylamine, 5-bromo-N-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-3-ethylamine, 5-bromo-N-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.