amino]ethanol structure](/static/products/769/7695-96-7.png)
2-[[(5-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol
TL;DR: 2-[[(5-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol (CAS 7695-96-7) is a chemical compound with molecular formula C13H16BrNOS and molecular weight 313.01 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)methyl-ethylamino]ethanol
Also Known As: AA-516/12432234, 2-[[(5-bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol, 2-[(5-bromo-1-benzothiophen-3-yl)methyl-ethylamino]ethanol, 2-{[(5-bromo-1-benzothiophen-3-yl)methyl](ethyl)amino}ethan-1-ol, 5-Bromo-3-[[N-ethyl-N-(2-hydroxyethyl)amino]methyl]benzo[b]thiophene
| Molecular Formula | C13H16BrNOS |
|---|---|
| Molecular Weight | 313.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 51.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.0136 |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 7695-96-7 |
|---|---|
| SMILES | CCN(CCO)CC1=CSC2=C1C=C(C=C2)Br |
| InChIKey | QLDCYLXQWZJOHQ-UHFFFAOYSA-N |
Product Overview
2-[[(5-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol (CAS 7695-96-7), with molecular formula C13H16BrNOS and molecular weight 313.01 g/mol. IUPAC: 2-[(5-bromo-1-benzothiophen-3-yl)methyl-ethylamino]ethanol.
Chemical Property Profile of 2-[[(5-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol
Property Insights of 2-[[(5-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol
The XLogP value of 3.1 indicates that 2-[[(5-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.7 Ų, 2-[[(5-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[(5-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol 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-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol?
The CAS number of 2-[[(5-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol is 7695-96-7.
What is the molecular formula of 2-[[(5-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol?
The molecular formula of 2-[[(5-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol is C13H16BrNOS.
What is the molecular weight of 2-[[(5-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol?
The molecular weight of 2-[[(5-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol is 313.01 g/mol.
Where can I buy 2-[[(5-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol?
You can request a quote for 2-[[(5-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[(5-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-[[(5-Bromo-1-benzothien-3-yl)methyl](ethyl)amino]ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.