3-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid
TL;DR: 3-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid (CAS 728898-85-9) is a chemical compound with molecular formula C14H14O4 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid
Also Known As: 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid, 3-Methyl-5-(3-oxo-butyl)-benzofuran-2-carboxylic acid, 3-methyl-5-(3-oxobutyl)benzofuran-2-carboxylic acid, 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylicacid
| Molecular Formula | C14H14O4 |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 2.96102 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.0892 |
| Heavy Atoms | 18 |
| Complexity | 622.00085 |
Chemical Identifiers
| CAS Number | 728898-85-9 |
|---|---|
| SMILES | CC1=C(OC2=C1C=C(C=C2)CCC(=O)C)C(=O)O |
Product Overview
3-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid (CAS 728898-85-9), with molecular formula C14H14O4 and molecular weight 246.09 g/mol. IUPAC: 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 3-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid
Property Insights of 3-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid
The XLogP value of 2.96102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid. Following Lipinski's Rule of Five, 3-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic 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-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid?
The CAS number of 3-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid is 728898-85-9.
What is the molecular formula of 3-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid?
The molecular formula of 3-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid is C14H14O4.
What is the molecular weight of 3-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid?
The molecular weight of 3-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid is 246.09 g/mol.
Where can I buy 3-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid?
You can request a quote for 3-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.