1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester
TL;DR: 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester (CAS 68928-90-5) is a chemical compound with molecular formula C15H22O9 and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl 2-(2-oxopropanoyloxy)propane-1,2,3-tricarboxylate
Also Known As: Triethyl 2-(1,2-dioxopropoxy)propane-1,2,3-tricarboxylate, triethyl 2-(pyruvoyloxy)propane-1,2,3-tricarboxylate, 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, triethyl ester, 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester, triethyl 2-(2-oxopropanoyloxy)propane-1,2,3-tricarboxylate
| Molecular Formula | C15H22O9 |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 346.12637 |
| Heavy Atoms | 24 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 68928-90-5 |
|---|---|
| SMILES | CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C(=O)C |
| InChIKey | GNVCGAGVWLLEDN-UHFFFAOYSA-N |
Product Overview
1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester (CAS 68928-90-5), with molecular formula C15H22O9 and molecular weight 346.13 g/mol. IUPAC: triethyl 2-(2-oxopropanoyloxy)propane-1,2,3-tricarboxylate.
Chemical Property Profile of 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester
Property Insights of 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester. Following Lipinski's Rule of Five, 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester has 0 hydrogen bond donor(s) and 9 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 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester?
The CAS number of 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester is 68928-90-5.
What is the molecular formula of 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester?
The molecular formula of 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester is C15H22O9.
What is the molecular weight of 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester?
The molecular weight of 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester is 346.13 g/mol.
Where can I buy 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester?
You can request a quote for 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Propanetricarboxylic acid, 2-(1,2-dioxopropoxy)-, 1,2,3-triethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.