Diethyl (ethoxymethylene)malonate
TL;DR: Diethyl (ethoxymethylene)malonate (CAS 87-13-8) is a chemical compound with molecular formula C10H16O5 and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(ethoxymethylidene)propanedioate
Also Known As: Diethyl ethoxymethylenemalonate, Diethyl 2-(ethoxymethylene)malonate, Diethyl EMME, Diethyl (ethoxymethylene)malonate, Diethyl Ethoxymethylidenemalonate
| Molecular Formula | C10H16O5 |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 216.09978 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 87-13-8 |
|---|---|
| SMILES | CCOC=C(C(=O)OCC)C(=O)OCC |
| InChIKey | LTMHNWPUDSTBKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (ethoxymethylene)malonate (CAS 87-13-8), with molecular formula C10H16O5 and molecular weight 216.10 g/mol. IUPAC: diethyl 2-(ethoxymethylidene)propanedioate.
Chemical Property Profile of Diethyl (ethoxymethylene)malonate
Property Insights of Diethyl (ethoxymethylene)malonate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (ethoxymethylene)malonate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (ethoxymethylene)malonate. Following Lipinski's Rule of Five, Diethyl (ethoxymethylene)malonate 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 (ethoxymethylene)malonate?
The CAS number of Diethyl (ethoxymethylene)malonate is 87-13-8.
What is the molecular formula of Diethyl (ethoxymethylene)malonate?
The molecular formula of Diethyl (ethoxymethylene)malonate is C10H16O5.
What is the molecular weight of Diethyl (ethoxymethylene)malonate?
The molecular weight of Diethyl (ethoxymethylene)malonate is 216.10 g/mol.
Where can I buy Diethyl (ethoxymethylene)malonate?
You can request a quote for Diethyl (ethoxymethylene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (ethoxymethylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (ethoxymethylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.