Triethyl 1-oxobutane-1,2,3-tricarboxylate
TL;DR: Triethyl 1-oxobutane-1,2,3-tricarboxylate (CAS 6322-38-9) 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 1-oxobutane-1,2,3-tricarboxylate
Also Known As: triethyl 1-oxobutane-1,2,3-tricarboxylate, Oxalbrenzweinsaeure-triaethylester, 1,2,3-Butanetricarboxylicacid, 1-oxo-, 1,2,3-triethyl ester
| Molecular Formula | C13H20O7 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 288.1209 |
| Heavy Atoms | 20 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 6322-38-9 |
|---|---|
| SMILES | CCOC(=O)C(C)C(C(=O)C(=O)OCC)C(=O)OCC |
| InChIKey | RYNYXETZYVJRKY-UHFFFAOYSA-N |
Product Overview
Triethyl 1-oxobutane-1,2,3-tricarboxylate (CAS 6322-38-9), with molecular formula C13H20O7 and molecular weight 288.12 g/mol. IUPAC: triethyl 1-oxobutane-1,2,3-tricarboxylate.
Chemical Property Profile of Triethyl 1-oxobutane-1,2,3-tricarboxylate
Property Insights of Triethyl 1-oxobutane-1,2,3-tricarboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethyl 1-oxobutane-1,2,3-tricarboxylate. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl 1-oxobutane-1,2,3-tricarboxylate. Following Lipinski's Rule of Five, Triethyl 1-oxobutane-1,2,3-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 1-oxobutane-1,2,3-tricarboxylate?
The CAS number of Triethyl 1-oxobutane-1,2,3-tricarboxylate is 6322-38-9.
What is the molecular formula of Triethyl 1-oxobutane-1,2,3-tricarboxylate?
The molecular formula of Triethyl 1-oxobutane-1,2,3-tricarboxylate is C13H20O7.
What is the molecular weight of Triethyl 1-oxobutane-1,2,3-tricarboxylate?
The molecular weight of Triethyl 1-oxobutane-1,2,3-tricarboxylate is 288.12 g/mol.
Where can I buy Triethyl 1-oxobutane-1,2,3-tricarboxylate?
You can request a quote for Triethyl 1-oxobutane-1,2,3-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl 1-oxobutane-1,2,3-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl 1-oxobutane-1,2,3-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.