1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one
TL;DR: 1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one (CAS 15817-85-3) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-ethyl-1-benzofuran-2-yl)ethanone
Also Known As: 1-(3-ethyl-1-benzofuran-2-yl)ethanone, 1-(3-Ethylbenzofuran-2-yl)ethanone, 1-(3-ethyl-1-benzofuran-2-yl)ethan-1-one, 2-acetyl-3-ethylbenzofuran, 1-(3-ethyl-2-benzofuranyl)-ethanon
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 3.1978 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 480.02744 |
Chemical Identifiers
| CAS Number | 15817-85-3 |
|---|---|
| SMILES | CCC1=C(OC2=CC=CC=C21)C(=O)C |
Product Overview
1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one (CAS 15817-85-3), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: 1-(3-ethyl-1-benzofuran-2-yl)ethanone.
Chemical Property Profile of 1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one
Property Insights of 1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one
The XLogP value of 3.1978 indicates that 1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one 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 1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one?
The CAS number of 1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one is 15817-85-3.
What is the molecular formula of 1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one?
The molecular formula of 1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one is C12H12O2.
What is the molecular weight of 1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one?
The molecular weight of 1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one is 188.08 g/mol.
Where can I buy 1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one?
You can request a quote for 1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Ethyl-1-benzofuran-2-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.