1,5-Diethyl pent-2-enedioate
TL;DR: 1,5-Diethyl pent-2-enedioate (CAS 2049-67-4) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl pent-2-enedioate
Also Known As: Diethyl glutaconate, Diethylglutaconate, Diethyl pent-2-enedioate, 2-Pentenedioic acid, diethyl ester, 1,5-diethyl pent-2-enedioate
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 2049-67-4 |
|---|---|
| SMILES | CCOC(=O)CC=CC(=O)OCC |
| InChIKey | JHCKGVJZNIWNJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Diethyl pent-2-enedioate (CAS 2049-67-4), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: diethyl pent-2-enedioate.
Chemical Property Profile of 1,5-Diethyl pent-2-enedioate
Property Insights of 1,5-Diethyl pent-2-enedioate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Diethyl pent-2-enedioate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,5-Diethyl pent-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Diethyl pent-2-enedioate 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 1,5-Diethyl pent-2-enedioate?
The CAS number of 1,5-Diethyl pent-2-enedioate is 2049-67-4.
What is the molecular formula of 1,5-Diethyl pent-2-enedioate?
The molecular formula of 1,5-Diethyl pent-2-enedioate is C9H14O4.
What is the molecular weight of 1,5-Diethyl pent-2-enedioate?
The molecular weight of 1,5-Diethyl pent-2-enedioate is 186.09 g/mol.
Where can I buy 1,5-Diethyl pent-2-enedioate?
You can request a quote for 1,5-Diethyl pent-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Diethyl pent-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Diethyl pent-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.