Benzo(b)thiophene-3-ethylamine, hydrochloride
TL;DR: Benzo(b)thiophene-3-ethylamine, hydrochloride (CAS 22945-49-9) is a chemical compound with molecular formula C10H12ClNS and molecular weight 213.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzothiophen-3-yl)ethanamine;hydrochloride
Also Known As: 2-(benzo, 2-(1-benzothiophen-3-yl)ethan-1-amine hydrochloride, Benzo(b)thiophene-3-ethylamine, hydrochloride, 2-(benzo[b]thiophen-3-yl)ethanamine hydrochloride, Benzo[b]thiophene-3-ethanamine, hydrochloride (1:1)
| Molecular Formula | C10H12ClNS |
|---|---|
| Molecular Weight | 213.04 g/mol |
| LogP | 2.8243 |
| Topological Polar Surface Area | 54.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.0379 |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 22945-49-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2)CCN.Cl |
| InChIKey | PVEKDTORMRYTRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo(b)thiophene-3-ethylamine, hydrochloride (CAS 22945-49-9), with molecular formula C10H12ClNS and molecular weight 213.04 g/mol. IUPAC: 2-(1-benzothiophen-3-yl)ethanamine;hydrochloride.
Chemical Property Profile of Benzo(b)thiophene-3-ethylamine, hydrochloride
Property Insights of Benzo(b)thiophene-3-ethylamine, hydrochloride
The XLogP value of 2.8243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)thiophene-3-ethylamine, hydrochloride. With a topological polar surface area (TPSA) of 54.3 Ų, Benzo(b)thiophene-3-ethylamine, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene-3-ethylamine, hydrochloride has 2 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, hydrochloride?
The CAS number of Benzo(b)thiophene-3-ethylamine, hydrochloride is 22945-49-9.
What is the molecular formula of Benzo(b)thiophene-3-ethylamine, hydrochloride?
The molecular formula of Benzo(b)thiophene-3-ethylamine, hydrochloride is C10H12ClNS.
What is the molecular weight of Benzo(b)thiophene-3-ethylamine, hydrochloride?
The molecular weight of Benzo(b)thiophene-3-ethylamine, hydrochloride is 213.04 g/mol.
Where can I buy Benzo(b)thiophene-3-ethylamine, hydrochloride?
You can request a quote for Benzo(b)thiophene-3-ethylamine, 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, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-3-ethylamine, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.