Triethyl 3-oxobutane-1,1,4-tricarboxylate
TL;DR: Triethyl 3-oxobutane-1,1,4-tricarboxylate (CAS 70184-67-7) is a chemical compound with molecular formula C13H20O7 and molecular weight 288.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl 3-oxobutane-1,1,4-tricarboxylate
Also Known As: triethyl 3-oxobutane-1,1,4-tricarboxylate
| Molecular Formula | C13H20O7 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 288.1209 |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 70184-67-7 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CC(C(=O)OCC)C(=O)OCC |
| InChIKey | GEHJNNGHMXIACX-UHFFFAOYSA-N |
Product Overview
Triethyl 3-oxobutane-1,1,4-tricarboxylate (CAS 70184-67-7), with molecular formula C13H20O7 and molecular weight 288.12 g/mol. IUPAC: triethyl 3-oxobutane-1,1,4-tricarboxylate.
Chemical Property Profile of Triethyl 3-oxobutane-1,1,4-tricarboxylate
Property Insights of Triethyl 3-oxobutane-1,1,4-tricarboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethyl 3-oxobutane-1,1,4-tricarboxylate. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl 3-oxobutane-1,1,4-tricarboxylate. Following Lipinski's Rule of Five, Triethyl 3-oxobutane-1,1,4-tricarboxylate has 0 hydrogen bond donor(s) and 7 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 Triethyl 3-oxobutane-1,1,4-tricarboxylate?
The CAS number of Triethyl 3-oxobutane-1,1,4-tricarboxylate is 70184-67-7.
What is the molecular formula of Triethyl 3-oxobutane-1,1,4-tricarboxylate?
The molecular formula of Triethyl 3-oxobutane-1,1,4-tricarboxylate is C13H20O7.
What is the molecular weight of Triethyl 3-oxobutane-1,1,4-tricarboxylate?
The molecular weight of Triethyl 3-oxobutane-1,1,4-tricarboxylate is 288.12 g/mol.
Where can I buy Triethyl 3-oxobutane-1,1,4-tricarboxylate?
You can request a quote for Triethyl 3-oxobutane-1,1,4-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl 3-oxobutane-1,1,4-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl 3-oxobutane-1,1,4-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.