3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester
TL;DR: 3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester (CAS 29113-63-1) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,5-dimethylfuran-3-carboxylate
Also Known As: ethyl 2,5-dimethylfuran-3-carboxylate, ethyl 2,5-dimethyl-3-furoate, ETHYL 2,5-DIMETHYL-FURAN-3-CARBOXYLATE, Ethyl2,5-dimethyl-3-furoate, 3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 29113-63-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C1)C)C |
| InChIKey | DNYLSCDHFCSDRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester (CAS 29113-63-1), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: ethyl 2,5-dimethylfuran-3-carboxylate.
Chemical Property Profile of 3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester
Property Insights of 3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester. With a topological polar surface area (TPSA) of 39.4 Ų, 3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester has 0 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-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester?
The CAS number of 3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester is 29113-63-1.
What is the molecular formula of 3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester?
The molecular formula of 3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester is C9H12O3.
What is the molecular weight of 3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester?
The molecular weight of 3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester is 168.08 g/mol.
Where can I buy 3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester?
You can request a quote for 3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Furancarboxylic acid, 2,5-dimethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.