![2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene structure](/static/products/476/476436-66-5.png)
2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene
TL;DR: 2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene (CAS 476436-66-5) is a chemical compound with molecular formula C16H9BrS and molecular weight 311.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)ethynyl]-1-benzothiophene
Also Known As: 2-[2-(4-bromophenyl)ethynyl]-1-benzothiophene, 2-[2-(4-bromophenyl)ethynyl]benzothiophene, J1.814.141H, 2-[2-(4-bromophenyl)ethynyl]-benzo[b]thiophene, 1-(4-Bromophenyl)-2-(benzo[b]thiophene-2-yl)ethyne
| Molecular Formula | C16H9BrS |
|---|---|
| Molecular Weight | 311.96 g/mol |
| LogP | 5.0636 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 311.96082 |
| Heavy Atoms | 18 |
| Complexity | 708.85815 |
Chemical Identifiers
| CAS Number | 476436-66-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(S2)C#CC3=CC=C(C=C3)Br |
Product Overview
2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene (CAS 476436-66-5), with molecular formula C16H9BrS and molecular weight 311.96 g/mol. IUPAC: 2-[2-(4-bromophenyl)ethynyl]-1-benzothiophene.
Chemical Property Profile of 2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene
Property Insights of 2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene
The XLogP value of 5.0636 indicates that 2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene?
The CAS number of 2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene is 476436-66-5.
What is the molecular formula of 2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene?
The molecular formula of 2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene is C16H9BrS.
What is the molecular weight of 2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene?
The molecular weight of 2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene is 311.96 g/mol.
Where can I buy 2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene?
You can request a quote for 2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Bromophenyl)ethynyl]-1-benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.