Diethyl suberate
TL;DR: Diethyl suberate (CAS 2050-23-9) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl octanedioate
Also Known As: DIETHYL SUBERATE, Diethyl octanedioate, Ethyl suberate, Diethylsuberate, Octanedioic acid, diethyl ester
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 2050-23-9 |
|---|---|
| SMILES | CCOC(=O)CCCCCCC(=O)OCC |
| InChIKey | PEUGOJXLBSIJQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl suberate (CAS 2050-23-9), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: diethyl octanedioate.
Chemical Property Profile of Diethyl suberate
Property Insights of Diethyl suberate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl suberate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl suberate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl suberate 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 suberate?
The CAS number of Diethyl suberate is 2050-23-9.
What is the molecular formula of Diethyl suberate?
The molecular formula of Diethyl suberate is C12H22O4.
What is the molecular weight of Diethyl suberate?
The molecular weight of Diethyl suberate is 230.15 g/mol.
Where can I buy Diethyl suberate?
You can request a quote for Diethyl suberate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl suberate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl suberate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.