1,3-Diethyl 2-cyclopentylpropanedioate
TL;DR: 1,3-Diethyl 2-cyclopentylpropanedioate (CAS 18928-91-1) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-cyclopentylpropanedioate
Also Known As: Diethyl cyclopentylmalonate, podophyllotoxin, Diethyl 2-cyclopentylmalonate, diethyl 2-cyclopentylpropanedioate, Cyclopentylmalonic Acid Diethyl Ester
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 18928-91-1 |
|---|---|
| SMILES | CCOC(=O)C(C1CCCC1)C(=O)OCC |
| InChIKey | WXPOKLNJWFXXQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diethyl 2-cyclopentylpropanedioate (CAS 18928-91-1), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: diethyl 2-cyclopentylpropanedioate.
Chemical Property Profile of 1,3-Diethyl 2-cyclopentylpropanedioate
Property Insights of 1,3-Diethyl 2-cyclopentylpropanedioate
The XLogP value of 3.1 indicates that 1,3-Diethyl 2-cyclopentylpropanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Diethyl 2-cyclopentylpropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethyl 2-cyclopentylpropanedioate 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-cyclopentylpropanedioate?
The CAS number of 1,3-Diethyl 2-cyclopentylpropanedioate is 18928-91-1.
What is the molecular formula of 1,3-Diethyl 2-cyclopentylpropanedioate?
The molecular formula of 1,3-Diethyl 2-cyclopentylpropanedioate is C12H20O4.
What is the molecular weight of 1,3-Diethyl 2-cyclopentylpropanedioate?
The molecular weight of 1,3-Diethyl 2-cyclopentylpropanedioate is 228.14 g/mol.
Where can I buy 1,3-Diethyl 2-cyclopentylpropanedioate?
You can request a quote for 1,3-Diethyl 2-cyclopentylpropanedioate 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-cyclopentylpropanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-cyclopentylpropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.