3-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic acid
TL;DR: 3-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic acid (CAS 77872-17-4) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.11 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-dimethylbutanoic acid
Also Known As: 3-(1-benzofuran-2-yl)-2,2-dimethylbutanoic acid
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 77872-17-4 |
|---|---|
| SMILES | CC(C1=CC2=CC=CC=C2O1)C(C)(C)C(=O)O |
| InChIKey | AHVBQISPIKSQSA-UHFFFAOYSA-N |
Product Overview
3-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic acid (CAS 77872-17-4), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: 3-(1-benzofuran-2-yl)-2,2-dimethylbutanoic acid.
Chemical Property Profile of 3-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic acid
Property Insights of 3-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic acid
The XLogP value of 3.4 indicates that 3-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic 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-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic 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-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic acid?
The CAS number of 3-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic acid is 77872-17-4.
What is the molecular formula of 3-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic acid?
The molecular formula of 3-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic acid is C14H16O3.
What is the molecular weight of 3-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic acid?
The molecular weight of 3-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic acid is 232.11 g/mol.
Where can I buy 3-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic acid?
You can request a quote for 3-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Benzofuran-2-yl)-2,2-dimethylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.