1-(1-Benzofuran-2-yl)vinyl acetate
TL;DR: 1-(1-Benzofuran-2-yl)vinyl acetate (CAS 56426-77-8) is a chemical compound with molecular formula C12H10O3 and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzofuran-2-yl)ethenyl acetate
Also Known As: 1-(1-benzofuran-2-yl)vinyl acetate, 1-acetoxy-1-benzofuran-2-yl-ethene, 1-(1-benzofuran-2-yl)ethenyl acetate, 2-benzofuranmethanol, alpha-methylene-, acetate, InChI=1/C12H10O3/c1-8(14-9(2)13)12-7-10-5-3-4-6-11(10)15-12/h3-7H,1H2,2H
| Molecular Formula | C12H10O3 |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.06299 |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 56426-77-8 |
|---|---|
| SMILES | CC(=O)OC(=C)C1=CC2=CC=CC=C2O1 |
| InChIKey | YZXXNOQWMCAMTJ-UHFFFAOYSA-N |
Product Overview
1-(1-Benzofuran-2-yl)vinyl acetate (CAS 56426-77-8), with molecular formula C12H10O3 and molecular weight 202.06 g/mol. IUPAC: 1-(1-benzofuran-2-yl)ethenyl acetate.
Chemical Property Profile of 1-(1-Benzofuran-2-yl)vinyl acetate
Property Insights of 1-(1-Benzofuran-2-yl)vinyl acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Benzofuran-2-yl)vinyl acetate. With a topological polar surface area (TPSA) of 39.4 Ų, 1-(1-Benzofuran-2-yl)vinyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Benzofuran-2-yl)vinyl acetate 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 1-(1-Benzofuran-2-yl)vinyl acetate?
The CAS number of 1-(1-Benzofuran-2-yl)vinyl acetate is 56426-77-8.
What is the molecular formula of 1-(1-Benzofuran-2-yl)vinyl acetate?
The molecular formula of 1-(1-Benzofuran-2-yl)vinyl acetate is C12H10O3.
What is the molecular weight of 1-(1-Benzofuran-2-yl)vinyl acetate?
The molecular weight of 1-(1-Benzofuran-2-yl)vinyl acetate is 202.06 g/mol.
Where can I buy 1-(1-Benzofuran-2-yl)vinyl acetate?
You can request a quote for 1-(1-Benzofuran-2-yl)vinyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Benzofuran-2-yl)vinyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Benzofuran-2-yl)vinyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.