Diethyl furfurylidenemalonate
TL;DR: Diethyl furfurylidenemalonate (CAS 17448-96-3) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(furan-2-ylmethylidene)propanedioate
Also Known As: Diethyl furfurylidenemalonate, Diethyl 2-furfurylidenemalonate, Diethyl 2-(furan-2-ylmethylene)malonate, DIETHYL FURFURYLIDENE MALONATE, Malonic acid, diethyl ester
| Molecular Formula | C12H14O5 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 238.08412 |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 17448-96-3 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=CO1)C(=O)OCC |
| InChIKey | IRUZVWQOYLRAQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl furfurylidenemalonate (CAS 17448-96-3), with molecular formula C12H14O5 and molecular weight 238.08 g/mol. IUPAC: diethyl 2-(furan-2-ylmethylidene)propanedioate.
Chemical Property Profile of Diethyl furfurylidenemalonate
Property Insights of Diethyl furfurylidenemalonate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl furfurylidenemalonate. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl furfurylidenemalonate. Following Lipinski's Rule of Five, Diethyl furfurylidenemalonate 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 Diethyl furfurylidenemalonate?
The CAS number of Diethyl furfurylidenemalonate is 17448-96-3.
What is the molecular formula of Diethyl furfurylidenemalonate?
The molecular formula of Diethyl furfurylidenemalonate is C12H14O5.
What is the molecular weight of Diethyl furfurylidenemalonate?
The molecular weight of Diethyl furfurylidenemalonate is 238.08 g/mol.
Where can I buy Diethyl furfurylidenemalonate?
You can request a quote for Diethyl furfurylidenemalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl furfurylidenemalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl furfurylidenemalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.