5-(2-Propynyloxy)-1,3-benzodioxole
TL;DR: 5-(2-Propynyloxy)-1,3-benzodioxole (CAS 19947-80-9) is a chemical compound with molecular formula C10H8O3 and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-prop-2-ynoxy-1,3-benzodioxole
Also Known As: 5-(2-propynyloxy)-1,3-benzodioxole, 5-prop-2-ynoxy-1,3-benzodioxole, 5-(prop-2-yn-1-yloxy)-2H-1,3-benzodioxole, 5-prop-2-ynoxybenzo[1,3]dioxole, 5-(Propargyloxy)-1,3-benzodioxole
| Molecular Formula | C10H8O3 |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 1.4273 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.04735 |
| Heavy Atoms | 13 |
| Complexity | 351.67776 |
Chemical Identifiers
| CAS Number | 19947-80-9 |
|---|---|
| SMILES | C#CCOC1=CC2=C(C=C1)OCO2 |
Product Overview
5-(2-Propynyloxy)-1,3-benzodioxole (CAS 19947-80-9), with molecular formula C10H8O3 and molecular weight 176.05 g/mol. IUPAC: 5-prop-2-ynoxy-1,3-benzodioxole.
Chemical Property Profile of 5-(2-Propynyloxy)-1,3-benzodioxole
Property Insights of 5-(2-Propynyloxy)-1,3-benzodioxole
The XLogP value of 1.4273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Propynyloxy)-1,3-benzodioxole. With a topological polar surface area (TPSA) of 27.69 Ų, 5-(2-Propynyloxy)-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Propynyloxy)-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-(2-Propynyloxy)-1,3-benzodioxole?
The CAS number of 5-(2-Propynyloxy)-1,3-benzodioxole is 19947-80-9.
What is the molecular formula of 5-(2-Propynyloxy)-1,3-benzodioxole?
The molecular formula of 5-(2-Propynyloxy)-1,3-benzodioxole is C10H8O3.
What is the molecular weight of 5-(2-Propynyloxy)-1,3-benzodioxole?
The molecular weight of 5-(2-Propynyloxy)-1,3-benzodioxole is 176.05 g/mol.
Where can I buy 5-(2-Propynyloxy)-1,3-benzodioxole?
You can request a quote for 5-(2-Propynyloxy)-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-(2-Propynyloxy)-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Propynyloxy)-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.