Tetraethyl butane-1,1,4,4-tetracarboxylate
TL;DR: Tetraethyl butane-1,1,4,4-tetracarboxylate (CAS 4450-43-5) is a chemical compound with molecular formula C16H26O8 and molecular weight 346.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetraethyl butane-1,1,4,4-tetracarboxylate
Also Known As: NCIOpen2_008335, tetraethyl ethylenebismalonate, tetraethyl butane-1,1,4,4-tetracarboxylate, 1,1,4,4-Butanetetracarboxylic acid tetraethyl ester, 1,1,4,4-tetraethyl butane-1,1,4,4-tetracarboxylate
| Molecular Formula | C16H26O8 |
|---|---|
| Molecular Weight | 346.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 346.16278 |
| Heavy Atoms | 24 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 4450-43-5 |
|---|---|
| SMILES | CCOC(=O)C(CCC(C(=O)OCC)C(=O)OCC)C(=O)OCC |
| InChIKey | KNTOEBNUVAIYKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetraethyl butane-1,1,4,4-tetracarboxylate (CAS 4450-43-5), with molecular formula C16H26O8 and molecular weight 346.16 g/mol. IUPAC: tetraethyl butane-1,1,4,4-tetracarboxylate.
Chemical Property Profile of Tetraethyl butane-1,1,4,4-tetracarboxylate
Property Insights of Tetraethyl butane-1,1,4,4-tetracarboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetraethyl butane-1,1,4,4-tetracarboxylate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetraethyl butane-1,1,4,4-tetracarboxylate. Following Lipinski's Rule of Five, Tetraethyl butane-1,1,4,4-tetracarboxylate has 0 hydrogen bond donor(s) and 8 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 Tetraethyl butane-1,1,4,4-tetracarboxylate?
The CAS number of Tetraethyl butane-1,1,4,4-tetracarboxylate is 4450-43-5.
What is the molecular formula of Tetraethyl butane-1,1,4,4-tetracarboxylate?
The molecular formula of Tetraethyl butane-1,1,4,4-tetracarboxylate is C16H26O8.
What is the molecular weight of Tetraethyl butane-1,1,4,4-tetracarboxylate?
The molecular weight of Tetraethyl butane-1,1,4,4-tetracarboxylate is 346.16 g/mol.
Where can I buy Tetraethyl butane-1,1,4,4-tetracarboxylate?
You can request a quote for Tetraethyl butane-1,1,4,4-tetracarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetraethyl butane-1,1,4,4-tetracarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tetraethyl butane-1,1,4,4-tetracarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.