Diethyl 2-cyclopenten-1-ylmalonate
TL;DR: Diethyl 2-cyclopenten-1-ylmalonate (CAS 53608-93-8) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-cyclopent-2-en-1-ylpropanedioate
Also Known As: Diethyl 2-cyclopenten-1-ylmalonate, diethyl 2-cyclopent-2-en-1-ylpropanedioate, diethyl cyclopent-2-en-1-ylmalonate, diethyl 2-(cyclopent-2-en-1-yl)malonate, diethyl 2-(2-cyclopenten-1-yl)malonate
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 53608-93-8 |
|---|---|
| SMILES | CCOC(=O)C(C1CCC=C1)C(=O)OCC |
| InChIKey | UAZCLBJEBNSEDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-cyclopenten-1-ylmalonate (CAS 53608-93-8), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: diethyl 2-cyclopent-2-en-1-ylpropanedioate.
Chemical Property Profile of Diethyl 2-cyclopenten-1-ylmalonate
Property Insights of Diethyl 2-cyclopenten-1-ylmalonate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-cyclopenten-1-ylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-cyclopenten-1-ylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-cyclopenten-1-ylmalonate 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 Diethyl 2-cyclopenten-1-ylmalonate?
The CAS number of Diethyl 2-cyclopenten-1-ylmalonate is 53608-93-8.
What is the molecular formula of Diethyl 2-cyclopenten-1-ylmalonate?
The molecular formula of Diethyl 2-cyclopenten-1-ylmalonate is C12H18O4.
What is the molecular weight of Diethyl 2-cyclopenten-1-ylmalonate?
The molecular weight of Diethyl 2-cyclopenten-1-ylmalonate is 226.12 g/mol.
Where can I buy Diethyl 2-cyclopenten-1-ylmalonate?
You can request a quote for Diethyl 2-cyclopenten-1-ylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-cyclopenten-1-ylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-cyclopenten-1-ylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.