5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene
TL;DR: 5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene (CAS 22963-91-3) is a chemical compound with molecular formula C12H14BrNS and molecular weight 283.00 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)-N,N-dimethylethanamine
Also Known As: AN-278/13643010, Benzo[b]thiophene-3-ethanamine, 5-bromo-N,N-dimethyl-, 2-(5-bromobenzothiophen-3-yl)-N,N-dimethyl-ethanamine, 5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene, 2-(5-bromo-1-benzothiophen-3-yl)-N,N-dimethylethanamine
| Molecular Formula | C12H14BrNS |
|---|---|
| Molecular Weight | 283.00 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 31.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.00302 |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 22963-91-3 |
|---|---|
| SMILES | CN(C)CCC1=CSC2=C1C=C(C=C2)Br |
| InChIKey | XEZUDHLQTMLRQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene (CAS 22963-91-3), with molecular formula C12H14BrNS and molecular weight 283.00 g/mol. IUPAC: 2-(5-bromo-1-benzothiophen-3-yl)-N,N-dimethylethanamine.
Chemical Property Profile of 5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene
Property Insights of 5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene
The XLogP value of 3.9 indicates that 5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.5 Ų, 5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene has 0 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 5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene?
The CAS number of 5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene is 22963-91-3.
What is the molecular formula of 5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene?
The molecular formula of 5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene is C12H14BrNS.
What is the molecular weight of 5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene?
The molecular weight of 5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene is 283.00 g/mol.
Where can I buy 5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene?
You can request a quote for 5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-3-(N',N'-dimethyl-2-aminoethyl)benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.