Diethyl 2,2,5,5-tetramethylhexanedioate
TL;DR: Diethyl 2,2,5,5-tetramethylhexanedioate (CAS 5238-36-8) is a chemical compound with molecular formula C14H26O4 and molecular weight 258.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2,5,5-tetramethylhexanedioate
Also Known As: diethyl 2,2,5,5-tetramethylhexanedioate, 2,2,5,5-Tetramethyladipic acid diethyl ester, Pentanoic acid,2-methyl-,1,1-diethylpropyl ester, 1,6-DIETHYL 2,2,5,5-TETRAMETHYLHEXANEDIOATE, RefChem:337761
| Molecular Formula | C14H26O4 |
|---|---|
| Molecular Weight | 258.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 258.1831 |
| Heavy Atoms | 18 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 5238-36-8 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)CCC(C)(C)C(=O)OCC |
| InChIKey | VATBUMYEQCVEBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2,2,5,5-tetramethylhexanedioate (CAS 5238-36-8), with molecular formula C14H26O4 and molecular weight 258.18 g/mol. IUPAC: diethyl 2,2,5,5-tetramethylhexanedioate.
Chemical Property Profile of Diethyl 2,2,5,5-tetramethylhexanedioate
Property Insights of Diethyl 2,2,5,5-tetramethylhexanedioate
The XLogP value of 3.2 indicates that Diethyl 2,2,5,5-tetramethylhexanedioate 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 2,2,5,5-tetramethylhexanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2,2,5,5-tetramethylhexanedioate 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 2,2,5,5-tetramethylhexanedioate?
The CAS number of Diethyl 2,2,5,5-tetramethylhexanedioate is 5238-36-8.
What is the molecular formula of Diethyl 2,2,5,5-tetramethylhexanedioate?
The molecular formula of Diethyl 2,2,5,5-tetramethylhexanedioate is C14H26O4.
What is the molecular weight of Diethyl 2,2,5,5-tetramethylhexanedioate?
The molecular weight of Diethyl 2,2,5,5-tetramethylhexanedioate is 258.18 g/mol.
Where can I buy Diethyl 2,2,5,5-tetramethylhexanedioate?
You can request a quote for Diethyl 2,2,5,5-tetramethylhexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2,5,5-tetramethylhexanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2,5,5-tetramethylhexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.