![5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole structure](/static/products/4954/495413-04-2.webp)
5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole
TL;DR: 5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole (CAS 495413-04-2) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-methoxyphenyl)ethynyl]-1,3-benzodioxole
Also Known As: 5-[(4-methoxyphenyl)ethynyl]-1,3-benzodioxole, 5-[2-(4-methoxyphenyl)ethynyl]-1,3-benzodioxole, 5-(4-Methoxyphenylethynyl)-1,3-benzodioxole, J2.843.809E, 5-(4-Methoxy-phenylethynyl)-benzo[1,3]dioxole
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 2.8237 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 647.9296 |
Chemical Identifiers
| CAS Number | 495413-04-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)OCO3 |
Product Overview
5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole (CAS 495413-04-2), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: 5-[2-(4-methoxyphenyl)ethynyl]-1,3-benzodioxole.
Chemical Property Profile of 5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole
Property Insights of 5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole
The XLogP value of 2.8237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole. With a topological polar surface area (TPSA) of 27.69 Ų, 5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole has 0 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 5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole?
The CAS number of 5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole is 495413-04-2.
What is the molecular formula of 5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole?
The molecular formula of 5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole is C16H12O3.
What is the molecular weight of 5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole?
The molecular weight of 5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole is 252.08 g/mol.
Where can I buy 5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole?
You can request a quote for 5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Methoxyphenyl)ethynyl]-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.