(2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid
TL;DR: (2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid (CAS 91902-94-2) is a chemical compound with molecular formula C13H12O3 and molecular weight 216.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoic acid
Also Known As: (2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid, ALLOPURINOLRIBOSIDE, 3-(2-Ethylbenzofuran-3-yl)acrylic acid, 3-(2-Ethylbenzofuran-3-yl)acrylicacid, (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoic acid
| Molecular Formula | C13H12O3 |
|---|---|
| Molecular Weight | 216.08 g/mol |
| LogP | 3.093 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.07864 |
| Heavy Atoms | 16 |
| Complexity | 549.3031 |
Chemical Identifiers
| CAS Number | 91902-94-2 |
|---|---|
| SMILES | CCC1=C(C2=CC=CC=C2O1)/C=C/C(=O)O |
Product Overview
(2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid (CAS 91902-94-2), with molecular formula C13H12O3 and molecular weight 216.08 g/mol. IUPAC: (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid
Property Insights of (2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid
The XLogP value of 3.093 indicates that (2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, (2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid has 1 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 (2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid?
The CAS number of (2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid is 91902-94-2.
What is the molecular formula of (2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid?
The molecular formula of (2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid is C13H12O3.
What is the molecular weight of (2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid?
The molecular weight of (2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid is 216.08 g/mol.
Where can I buy (2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid?
You can request a quote for (2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.