3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)-
TL;DR: 3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)- (CAS 610277-18-4) 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.
2-(5-tert-butyl-1-benzofuran-3-yl)acetic acid
Also Known As: 3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)-, 2-(5-tert-butylbenzofuran-3-yl)acetic Acid, (5-tert-Butyl-1-benzofuran-3-yl)acetic acid, 5-(1,1-Dimethylethyl)-3-benzofuranacetic acid, 2-(5-tert-butyl-1-benzofuran-3-yl)acetic acid
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 3.3574 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 558.34125 |
Chemical Identifiers
| CAS Number | 610277-18-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)OC=C2CC(=O)O |
Product Overview
3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)- (CAS 610277-18-4), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: 2-(5-tert-butyl-1-benzofuran-3-yl)acetic acid.
Chemical Property Profile of 3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)-
Property Insights of 3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)-
The XLogP value of 3.3574 indicates that 3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, 3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)- 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 3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)-?
The CAS number of 3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)- is 610277-18-4.
What is the molecular formula of 3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)-?
The molecular formula of 3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)- is C14H16O3.
What is the molecular weight of 3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)-?
The molecular weight of 3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)- is 232.11 g/mol.
Where can I buy 3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)-?
You can request a quote for 3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzofuranacetic acid, 5-(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.