3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid
TL;DR: 3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid (CAS 72236-76-1) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-yl)-2,2-dimethylpentanoic acid
Also Known As: 3-(1-benzofuran-2-yl)-2,2-dimethylpentanoic acid, 3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid, alpha,alpha-Dimethyl-beta-ethyl-2-benzofuranpropanoic acid, 2-BENZOFURANPROPANOIC ACID, alpha,alpha-DIMETHYL-beta-ETHYL-, alpha,alpha-Dimethyl-beta-ethyl-2-benzofuranpropionic acid
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 72236-76-1 |
|---|---|
| SMILES | CCC(C1=CC2=CC=CC=C2O1)C(C)(C)C(=O)O |
| InChIKey | DKKKSMSZSDVSSS-UHFFFAOYSA-N |
Product Overview
3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid (CAS 72236-76-1), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: 3-(1-benzofuran-2-yl)-2,2-dimethylpentanoic acid.
Chemical Property Profile of 3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid
Property Insights of 3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid
The XLogP value of 3.7 indicates that 3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, 3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid has 1 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 3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid?
The CAS number of 3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid is 72236-76-1.
What is the molecular formula of 3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid?
The molecular formula of 3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid is C15H18O3.
What is the molecular weight of 3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid?
The molecular weight of 3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid is 246.13 g/mol.
Where can I buy 3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid?
You can request a quote for 3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Benzofuranyl)-2,2-dimethyl-3-ethylpropionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.