Diethyl tridecanedioate
TL;DR: Diethyl tridecanedioate (CAS 15423-05-9) is a chemical compound with molecular formula C17H32O4 and molecular weight 300.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl tridecanedioate
Also Known As: Diethyl tridecanedioate, diethyl brassylate, Diethyltridecanedioate, Tridecanedioic acid, diethyl ester, Tridecanedioic acid diethyl ester
| Molecular Formula | C17H32O4 |
|---|---|
| Molecular Weight | 300.23 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 300.23007 |
| Heavy Atoms | 21 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 15423-05-9 |
|---|---|
| SMILES | CCOC(=O)CCCCCCCCCCCC(=O)OCC |
| InChIKey | KYACNNYLFZGWTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl tridecanedioate (CAS 15423-05-9), with molecular formula C17H32O4 and molecular weight 300.23 g/mol. IUPAC: diethyl tridecanedioate.
Chemical Property Profile of Diethyl tridecanedioate
Property Insights of Diethyl tridecanedioate
The XLogP value of 5.1 indicates that Diethyl tridecanedioate 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 tridecanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl tridecanedioate 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 tridecanedioate?
The CAS number of Diethyl tridecanedioate is 15423-05-9.
What is the molecular formula of Diethyl tridecanedioate?
The molecular formula of Diethyl tridecanedioate is C17H32O4.
What is the molecular weight of Diethyl tridecanedioate?
The molecular weight of Diethyl tridecanedioate is 300.23 g/mol.
Where can I buy Diethyl tridecanedioate?
You can request a quote for Diethyl tridecanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl tridecanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl tridecanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.