1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene
TL;DR: 1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene (CAS 39969-28-3) 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-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
Also Known As: 5PMeOPa, 1-methoxy-4-[(4-pentylphenyl)ethynyl]benzene, 1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene, p-Methoxy pentyl p'-tolane, 1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene
| Molecular Formula | C20H22O |
|---|---|
| Molecular Weight | 278.17 g/mol |
| LogP | 6.3 |
| 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 | 39969-28-3 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)OC |
| InChIKey | ULPSMBQBIIZGAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene (CAS 39969-28-3), with molecular formula C20H22O and molecular weight 278.17 g/mol. IUPAC: 1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene.
Chemical Property Profile of 1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene
Property Insights of 1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene
The XLogP value of 6.3 indicates that 1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene 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-(4-Methoxyphenyl)ethynyl-4-pentylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene 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-(4-Methoxyphenyl)ethynyl-4-pentylbenzene?
The CAS number of 1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene is 39969-28-3.
What is the molecular formula of 1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene?
The molecular formula of 1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene is C20H22O.
What is the molecular weight of 1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene?
The molecular weight of 1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene is 278.17 g/mol.
Where can I buy 1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene?
You can request a quote for 1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.