4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid
TL;DR: 4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid (CAS 110252-63-6) is a chemical compound with molecular formula C10H12O5 and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid
Also Known As: 2,5-dimethyl-3,4-furandicarboxylic acid monoethyl ester, 4-ethoxycarbonyl-2,5-dimethyl-furan-3-carboxylic Acid, 4-ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid
| Molecular Formula | C10H12O5 |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 1.77134 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.06847 |
| Heavy Atoms | 15 |
| Complexity | 402.1904 |
Chemical Identifiers
| CAS Number | 110252-63-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C1C(=O)O)C)C |
Product Overview
4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid (CAS 110252-63-6), with molecular formula C10H12O5 and molecular weight 212.07 g/mol. IUPAC: 4-ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid.
Chemical Property Profile of 4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid
Property Insights of 4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid
The XLogP value of 1.77134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid. Following Lipinski's Rule of Five, 4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid?
The CAS number of 4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid is 110252-63-6.
What is the molecular formula of 4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid?
The molecular formula of 4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid is C10H12O5.
What is the molecular weight of 4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid?
The molecular weight of 4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid is 212.07 g/mol.
Where can I buy 4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid?
You can request a quote for 4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxycarbonyl-2,5-dimethylfuran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.