2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate
TL;DR: 2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate (CAS 188973-69-5) is a chemical compound with molecular formula C13H20O6 and molecular weight 272.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-tert-butyl 1-O,1-O-diethyl ethene-1,1,2-tricarboxylate
Also Known As: 2-(tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate, 2-tert-butyl 1,1-diethyl eth-1-ene-1,1,2-tricarboxylate, 2-O-tert-butyl 1-O,1-O-diethyl ethene-1,1,2-tricarboxylate, 2-Tert-butyl 1,1-diethyl ethene-1,1,2-tricarboxylate, 2P-039
| Molecular Formula | C13H20O6 |
|---|---|
| Molecular Weight | 272.13 g/mol |
| LogP | 1.3807 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.12598 |
| Heavy Atoms | 19 |
| Complexity | 355.0849 |
Chemical Identifiers
| CAS Number | 188973-69-5 |
|---|---|
| SMILES | CCOC(=O)C(=CC(=O)OC(C)(C)C)C(=O)OCC |
Product Overview
2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate (CAS 188973-69-5), with molecular formula C13H20O6 and molecular weight 272.13 g/mol. IUPAC: 2-O-tert-butyl 1-O,1-O-diethyl ethene-1,1,2-tricarboxylate.
Chemical Property Profile of 2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate
Property Insights of 2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate
The XLogP value of 1.3807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate. Following Lipinski's Rule of Five, 2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate has 0 hydrogen bond donor(s) and 6 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 2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate?
The CAS number of 2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate is 188973-69-5.
What is the molecular formula of 2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate?
The molecular formula of 2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate is C13H20O6.
What is the molecular weight of 2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate?
The molecular weight of 2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate is 272.13 g/mol.
Where can I buy 2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate?
You can request a quote for 2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Tert-butyl) 1,1-diethyl 1,1,2-ethylenetricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.