Diethyl trans-3-Hexenedioate
TL;DR: Diethyl trans-3-Hexenedioate (CAS 25492-69-7) 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 (E)-hex-3-enedioate
Also Known As: Diethyl trans-3-Hexenedioate, (E)-Diethyl hex-3-enedioate, diethyl hex-3-enedioate, diethyl (E)-hex-3-enedioate, (E)-Diethylhex-3-enedioate
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.449 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 186.16754 |
Chemical Identifiers
| CAS Number | 25492-69-7 |
|---|---|
| SMILES | CCOC(=O)C/C=C/CC(=O)OCC |
Product Overview
Diethyl trans-3-Hexenedioate (CAS 25492-69-7), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: diethyl (E)-hex-3-enedioate.
Chemical Property Profile of Diethyl trans-3-Hexenedioate
Property Insights of Diethyl trans-3-Hexenedioate
The XLogP value of 1.449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl trans-3-Hexenedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl trans-3-Hexenedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl trans-3-Hexenedioate 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 trans-3-Hexenedioate?
The CAS number of Diethyl trans-3-Hexenedioate is 25492-69-7.
What is the molecular formula of Diethyl trans-3-Hexenedioate?
The molecular formula of Diethyl trans-3-Hexenedioate is C10H16O4.
What is the molecular weight of Diethyl trans-3-Hexenedioate?
The molecular weight of Diethyl trans-3-Hexenedioate is 200.10 g/mol.
Where can I buy Diethyl trans-3-Hexenedioate?
You can request a quote for Diethyl trans-3-Hexenedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl trans-3-Hexenedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl trans-3-Hexenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.