Diethyl hexadecanedioate
TL;DR: Diethyl hexadecanedioate (CAS 15786-31-9) is a chemical compound with molecular formula C20H38O4 and molecular weight 342.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl hexadecanedioate
Also Known As: Diethyl thapsate, Diethyl hexadecanedioate, Ethyl hexadecanedioate, Thapsic acid diethyl ester, Diethyl hexadecanedioate #
| Molecular Formula | C20H38O4 |
|---|---|
| Molecular Weight | 342.28 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 342.277 |
| Heavy Atoms | 24 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 15786-31-9 |
|---|---|
| SMILES | CCOC(=O)CCCCCCCCCCCCCCC(=O)OCC |
| InChIKey | AHIOKFKBLGHSSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl hexadecanedioate (CAS 15786-31-9), with molecular formula C20H38O4 and molecular weight 342.28 g/mol. IUPAC: diethyl hexadecanedioate.
Chemical Property Profile of Diethyl hexadecanedioate
Property Insights of Diethyl hexadecanedioate
The XLogP value of 6.7 indicates that Diethyl hexadecanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl hexadecanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl hexadecanedioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl hexadecanedioate?
The CAS number of Diethyl hexadecanedioate is 15786-31-9.
What is the molecular formula of Diethyl hexadecanedioate?
The molecular formula of Diethyl hexadecanedioate is C20H38O4.
What is the molecular weight of Diethyl hexadecanedioate?
The molecular weight of Diethyl hexadecanedioate is 342.28 g/mol.
Where can I buy Diethyl hexadecanedioate?
You can request a quote for Diethyl hexadecanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl hexadecanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl hexadecanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.