Ethyl 2-(chloromethyl)-3-furoate
TL;DR: Ethyl 2-(chloromethyl)-3-furoate (CAS 53020-09-0) is a chemical compound with molecular formula C8H9ClO3 and molecular weight 188.02402 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(chloromethyl)furan-3-carboxylate
Also Known As: Ethyl 2-(chloromethyl)-3-furoate, ethyl 2-(chloromethyl)furan-3-carboxylate, ethyl 2-chloromethyl-3-furoate, 3-Chloro-2,5,6-trifluoropyridine, 2-Chloromethyl-furan-3-carboxylic acid ethyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9ClO3 |
| Molecular Weight | 188.02402 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.02402 Da |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
| SMILES | CCOC(=O)C1=C(OC=C1)CCl |
| InChIKey | NGJRTMAWUADGPY-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(chloromethyl)-3-furoate
Property Insights of Ethyl 2-(chloromethyl)-3-furoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(chloromethyl)-3-furoate. With a topological polar surface area (TPSA) of 39.4 Ų, Ethyl 2-(chloromethyl)-3-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(chloromethyl)-3-furoate 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
What is the CAS number of Ethyl 2-(chloromethyl)-3-furoate?
The CAS number of Ethyl 2-(chloromethyl)-3-furoate is 53020-09-0.
What is the molecular formula of Ethyl 2-(chloromethyl)-3-furoate?
The molecular formula of Ethyl 2-(chloromethyl)-3-furoate is C8H9ClO3.
What is the molecular weight of Ethyl 2-(chloromethyl)-3-furoate?
The molecular weight of Ethyl 2-(chloromethyl)-3-furoate is 188.02402 g/mol.
Where can I buy Ethyl 2-(chloromethyl)-3-furoate?
You can request a quote for Ethyl 2-(chloromethyl)-3-furoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(chloromethyl)-3-furoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(chloromethyl)-3-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.