1-Butyl-4-((4-ethoxyphenyl)ethynyl)benzene
TL;DR: 1-Butyl-4-((4-ethoxyphenyl)ethynyl)benzene (CAS 85583-83-1) is a chemical compound with molecular formula C20H22O and molecular weight 278.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-4-[2-(4-ethoxyphenyl)ethynyl]benzene
Also Known As: 1-butyl-4-[2-(4-ethoxyphenyl)ethynyl]benzene, 1-Butyl-4-((4-ethoxyphenyl)ethynyl)benzene, 1-n-Butyl-4-[(4-ethoxyphenyl)ethynyl]benzene, 4P2OPa, 1- -2- ACETYLENE
| Molecular Formula | C20H22O |
|---|---|
| Molecular Weight | 278.17 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.16705 |
| Heavy Atoms | 21 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 85583-83-1 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)OCC |
| InChIKey | ULERJJLPGXLNFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butyl-4-((4-ethoxyphenyl)ethynyl)benzene (CAS 85583-83-1), with molecular formula C20H22O and molecular weight 278.17 g/mol. IUPAC: 1-butyl-4-[2-(4-ethoxyphenyl)ethynyl]benzene.
Chemical Property Profile of 1-Butyl-4-((4-ethoxyphenyl)ethynyl)benzene
Property Insights of 1-Butyl-4-((4-ethoxyphenyl)ethynyl)benzene
The XLogP value of 6.2 indicates that 1-Butyl-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 9.2 Ų, 1-Butyl-4-((4-ethoxyphenyl)ethynyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-4-((4-ethoxyphenyl)ethynyl)benzene 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 1-Butyl-4-((4-ethoxyphenyl)ethynyl)benzene?
The CAS number of 1-Butyl-4-((4-ethoxyphenyl)ethynyl)benzene is 85583-83-1.
What is the molecular formula of 1-Butyl-4-((4-ethoxyphenyl)ethynyl)benzene?
The molecular formula of 1-Butyl-4-((4-ethoxyphenyl)ethynyl)benzene is C20H22O.
What is the molecular weight of 1-Butyl-4-((4-ethoxyphenyl)ethynyl)benzene?
The molecular weight of 1-Butyl-4-((4-ethoxyphenyl)ethynyl)benzene is 278.17 g/mol.
Where can I buy 1-Butyl-4-((4-ethoxyphenyl)ethynyl)benzene?
You can request a quote for 1-Butyl-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-Butyl-4-((4-ethoxyphenyl)ethynyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-4-((4-ethoxyphenyl)ethynyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.