Diethyl 2-pent-4-enylpropanedioate
TL;DR: Diethyl 2-pent-4-enylpropanedioate (CAS 1906-96-3) 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-pent-4-enylpropanedioate
Also Known As: diethyl 2-pent-4-enylpropanedioate, 4-Isobutyl-pyridine, diethyl (4-pentenyl)-malonate, diethyl pent-4-enylmalonate, diethyl (4-pentenyl)malonate
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 1906-96-3 |
|---|---|
| SMILES | CCOC(=O)C(CCCC=C)C(=O)OCC |
| InChIKey | NLEHEDAAFLLABZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-pent-4-enylpropanedioate (CAS 1906-96-3), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: diethyl 2-pent-4-enylpropanedioate.
Chemical Property Profile of Diethyl 2-pent-4-enylpropanedioate
Property Insights of Diethyl 2-pent-4-enylpropanedioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-pent-4-enylpropanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-pent-4-enylpropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-pent-4-enylpropanedioate 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-pent-4-enylpropanedioate?
The CAS number of Diethyl 2-pent-4-enylpropanedioate is 1906-96-3.
What is the molecular formula of Diethyl 2-pent-4-enylpropanedioate?
The molecular formula of Diethyl 2-pent-4-enylpropanedioate is C12H20O4.
What is the molecular weight of Diethyl 2-pent-4-enylpropanedioate?
The molecular weight of Diethyl 2-pent-4-enylpropanedioate is 228.14 g/mol.
Where can I buy Diethyl 2-pent-4-enylpropanedioate?
You can request a quote for Diethyl 2-pent-4-enylpropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-pent-4-enylpropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-pent-4-enylpropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.