1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene
TL;DR: 1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene (CAS 414900-87-1) is a chemical compound with molecular formula C16H13BrO and molecular weight 300.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-[2-(4-ethoxyphenyl)ethynyl]benzene
Also Known As: Benzene, 1-bromo-4-[(4-ethoxyphenyl)ethynyl]-, 1-bromo-4-((4-ethoxyphenyl)ethynyl)benzene, 1-Bromo-4-[(4-ethoxyphenyl)ethynyl]benzene, 1-bromo-4-[2-(4-ethoxyphenyl)ethynyl]benzene
| Molecular Formula | C16H13BrO |
|---|---|
| Molecular Weight | 300.01 g/mol |
| LogP | 4.2476 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.01498 |
| Heavy Atoms | 18 |
| Complexity | 558.7862 |
Chemical Identifiers
| CAS Number | 414900-87-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)Br |
Product Overview
1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene (CAS 414900-87-1), with molecular formula C16H13BrO and molecular weight 300.01 g/mol. IUPAC: 1-bromo-4-[2-(4-ethoxyphenyl)ethynyl]benzene.
Chemical Property Profile of 1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene
Property Insights of 1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene
The XLogP value of 4.2476 indicates that 1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene has 0 hydrogen bond donor(s) and 1 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 1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene?
The CAS number of 1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene is 414900-87-1.
What is the molecular formula of 1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene?
The molecular formula of 1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene is C16H13BrO.
What is the molecular weight of 1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene?
The molecular weight of 1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene is 300.01 g/mol.
Where can I buy 1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene?
You can request a quote for 1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-((4-ethoxyphenyl)ethynyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.