Diethyl hex-3-enedioate
TL;DR: Diethyl hex-3-enedioate (CAS 25432-03-5) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl hex-3-enedioate
Also Known As: diethyl hex-3-enedioate, diethyl-3-hexenedioate, Diethyl trans-3-Hexenedioate, Diethyltrans-3-Hexenedioate, NCIOpen2_001925
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 25432-03-5 |
|---|---|
| SMILES | CCOC(=O)CC=CCC(=O)OCC |
| InChIKey | YIDKJPKYCLMJQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl hex-3-enedioate (CAS 25432-03-5), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: diethyl hex-3-enedioate.
Chemical Property Profile of Diethyl hex-3-enedioate
Property Insights of Diethyl hex-3-enedioate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl hex-3-enedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl hex-3-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl hex-3-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 Diethyl hex-3-enedioate?
The CAS number of Diethyl hex-3-enedioate is 25432-03-5.
What is the molecular formula of Diethyl hex-3-enedioate?
The molecular formula of Diethyl hex-3-enedioate is C10H16O4.
What is the molecular weight of Diethyl hex-3-enedioate?
The molecular weight of Diethyl hex-3-enedioate is 200.10 g/mol.
Where can I buy Diethyl hex-3-enedioate?
You can request a quote for Diethyl hex-3-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl hex-3-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl hex-3-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.