![4-Ethynyl-benzo[1,3]dioxole structure](/static/products/369/369363-94-0.png)
4-Ethynyl-benzo[1,3]dioxole
TL;DR: 4-Ethynyl-benzo[1,3]dioxole (CAS 369363-94-0) is a chemical compound with molecular formula C9H6O2 and molecular weight 146.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethynyl-1,3-benzodioxole
Also Known As: 4-Ethynyl-1,3-benzodioxole, 4-ETHYNYL-BENZO[1,3]DIOXOLE, 4-Ethynyl-1,3-dioxaindane, 4-ethynylbenzo[1,3]dioxole, 4-ETHYNYL-2H-1,3-BENZODIOXOLE
| Molecular Formula | C9H6O2 |
|---|---|
| Molecular Weight | 146.04 g/mol |
| LogP | 1.3966 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.03677 |
| Heavy Atoms | 11 |
| Complexity | 322.8249 |
Chemical Identifiers
| CAS Number | 369363-94-0 |
|---|---|
| SMILES | C#CC1=C2C(=CC=C1)OCO2 |
Product Overview
4-Ethynyl-benzo[1,3]dioxole (CAS 369363-94-0), with molecular formula C9H6O2 and molecular weight 146.04 g/mol. IUPAC: 4-ethynyl-1,3-benzodioxole.
Chemical Property Profile of 4-Ethynyl-benzo[1,3]dioxole
Property Insights of 4-Ethynyl-benzo[1,3]dioxole
The XLogP value of 1.3966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethynyl-benzo[1,3]dioxole. With a topological polar surface area (TPSA) of 18.46 Ų, 4-Ethynyl-benzo[1,3]dioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethynyl-benzo[1,3]dioxole has 0 hydrogen bond donor(s) and 2 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 4-Ethynyl-benzo[1,3]dioxole?
The CAS number of 4-Ethynyl-benzo[1,3]dioxole is 369363-94-0.
What is the molecular formula of 4-Ethynyl-benzo[1,3]dioxole?
The molecular formula of 4-Ethynyl-benzo[1,3]dioxole is C9H6O2.
What is the molecular weight of 4-Ethynyl-benzo[1,3]dioxole?
The molecular weight of 4-Ethynyl-benzo[1,3]dioxole is 146.04 g/mol.
Where can I buy 4-Ethynyl-benzo[1,3]dioxole?
You can request a quote for 4-Ethynyl-benzo[1,3]dioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethynyl-benzo[1,3]dioxole?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethynyl-benzo[1,3]dioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.