1,3-Diethyl 2-methylenepropanedioate
TL;DR: 1,3-Diethyl 2-methylenepropanedioate (CAS 3377-20-6) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methylidenepropanedioate
Also Known As: diethyl 2-methylenemalonate, Diethyl methylenemalonate, Diethyl methylidenemalonate, Poly(demm), Ethyl methylenemalonate
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 3377-20-6 |
|---|---|
| SMILES | CCOC(=O)C(=C)C(=O)OCC |
| InChIKey | BQHDXNZNSPVVKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diethyl 2-methylenepropanedioate (CAS 3377-20-6), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: diethyl 2-methylidenepropanedioate.
Chemical Property Profile of 1,3-Diethyl 2-methylenepropanedioate
Property Insights of 1,3-Diethyl 2-methylenepropanedioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl 2-methylenepropanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Diethyl 2-methylenepropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethyl 2-methylenepropanedioate has 0 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 1,3-Diethyl 2-methylenepropanedioate?
The CAS number of 1,3-Diethyl 2-methylenepropanedioate is 3377-20-6.
What is the molecular formula of 1,3-Diethyl 2-methylenepropanedioate?
The molecular formula of 1,3-Diethyl 2-methylenepropanedioate is C8H12O4.
What is the molecular weight of 1,3-Diethyl 2-methylenepropanedioate?
The molecular weight of 1,3-Diethyl 2-methylenepropanedioate is 172.07 g/mol.
Where can I buy 1,3-Diethyl 2-methylenepropanedioate?
You can request a quote for 1,3-Diethyl 2-methylenepropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl 2-methylenepropanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-methylenepropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.