![2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid structure](/static/products/7309/730951-42-5.webp)
2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid
TL;DR: 2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid (CAS 730951-42-5) 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-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetic acid
Also Known As: (5-Isopropyl-6-methyl-benzofuran-3-yl)-acetic acid, 2-[6-methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid, 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetic acid, 2-(5-Isopropyl-6-methylbenzofuran-3-yl)acetic Acid, 2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetic acid
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 3.49172 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 564.0962 |
Chemical Identifiers
| CAS Number | 730951-42-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C(C)C)C(=CO2)CC(=O)O |
Product Overview
2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid (CAS 730951-42-5), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetic acid.
Chemical Property Profile of 2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid
Property Insights of 2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid
The XLogP value of 3.49172 indicates that 2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic 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, 2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic 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 2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid?
The CAS number of 2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid is 730951-42-5.
What is the molecular formula of 2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid?
The molecular formula of 2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid is C14H16O3.
What is the molecular weight of 2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid?
The molecular weight of 2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid is 232.11 g/mol.
Where can I buy 2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid?
You can request a quote for 2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.