Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester
TL;DR: Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester (CAS 99834-91-0) is a chemical compound with molecular formula C16H16O5 and molecular weight 288.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]propanoate
Also Known As: Methyl 4-((5-acetyl-2-furanyl)oxy)-alpha-methylbenzeneacetate, methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]propanoate, Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester, Methyl 2-{4-[(5-acetylfuran-2-yl)oxy]phenyl}propanoate, BRN 4517210
| Molecular Formula | C16H16O5 |
|---|---|
| Molecular Weight | 288.10 g/mol |
| LogP | 3.551 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.09976 |
| Heavy Atoms | 21 |
| Complexity | 638.9419 |
Chemical Identifiers
| CAS Number | 99834-91-0 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)OC2=CC=C(O2)C(=O)C)C(=O)OC |
Product Overview
Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester (CAS 99834-91-0), with molecular formula C16H16O5 and molecular weight 288.10 g/mol. IUPAC: methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]propanoate.
Chemical Property Profile of Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester
Property Insights of Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester
The XLogP value of 3.551 indicates that Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester has 0 hydrogen bond donor(s) and 5 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 Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester?
The CAS number of Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester is 99834-91-0.
What is the molecular formula of Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester is C16H16O5.
What is the molecular weight of Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester is 288.10 g/mol.
Where can I buy Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-((5-acetyl-2-furanyl)oxy)-alpha-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.