Diethyl tetramethylbutanedioate
TL;DR: Diethyl tetramethylbutanedioate (CAS 33562-89-9) 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 2,2,3,3-tetramethylbutanedioate
Also Known As: diethyl tetramethylbutanedioate, starbld0003730, NCIOpen2_004253, diethyl 2,2,3,3-tetramethylsuccinate, diethyl 2,2,3,3-tetramethylbutanedioate
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 33562-89-9 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)C(C)(C)C(=O)OCC |
| InChIKey | DRVYAVWIBGKJNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl tetramethylbutanedioate (CAS 33562-89-9), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: diethyl 2,2,3,3-tetramethylbutanedioate.
Chemical Property Profile of Diethyl tetramethylbutanedioate
Property Insights of Diethyl tetramethylbutanedioate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl tetramethylbutanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl tetramethylbutanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl tetramethylbutanedioate 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 tetramethylbutanedioate?
The CAS number of Diethyl tetramethylbutanedioate is 33562-89-9.
What is the molecular formula of Diethyl tetramethylbutanedioate?
The molecular formula of Diethyl tetramethylbutanedioate is C12H22O4.
What is the molecular weight of Diethyl tetramethylbutanedioate?
The molecular weight of Diethyl tetramethylbutanedioate is 230.15 g/mol.
Where can I buy Diethyl tetramethylbutanedioate?
You can request a quote for Diethyl tetramethylbutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl tetramethylbutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl tetramethylbutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.