Triethyl prop-1-ene-1,1,2-tricarboxylate
TL;DR: Triethyl prop-1-ene-1,1,2-tricarboxylate (CAS 305-60-2) is a chemical compound with molecular formula C12H18O6 and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl prop-1-ene-1,1,2-tricarboxylate
Also Known As: triethyl prop-1-ene-1,1,2-tricarboxylate, J1.841.447C, 1-Propene-1,1,2-tricarboxylic acid triethyl ester, prop-1-ene-1,1,2-tricarboxylic acid triethyl ester, 1,1,2-triethyl 2-methyleth-1-ene-1,1,2-tricarboxylate
| Molecular Formula | C12H18O6 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 258.11035 |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 305-60-2 |
|---|---|
| SMILES | CCOC(=O)C(=C(C(=O)OCC)C(=O)OCC)C |
| InChIKey | GKPVAGGETYYJEH-UHFFFAOYSA-N |
Product Overview
Triethyl prop-1-ene-1,1,2-tricarboxylate (CAS 305-60-2), with molecular formula C12H18O6 and molecular weight 258.11 g/mol. IUPAC: triethyl prop-1-ene-1,1,2-tricarboxylate.
Chemical Property Profile of Triethyl prop-1-ene-1,1,2-tricarboxylate
Property Insights of Triethyl prop-1-ene-1,1,2-tricarboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethyl prop-1-ene-1,1,2-tricarboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl prop-1-ene-1,1,2-tricarboxylate. Following Lipinski's Rule of Five, Triethyl prop-1-ene-1,1,2-tricarboxylate 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 Triethyl prop-1-ene-1,1,2-tricarboxylate?
The CAS number of Triethyl prop-1-ene-1,1,2-tricarboxylate is 305-60-2.
What is the molecular formula of Triethyl prop-1-ene-1,1,2-tricarboxylate?
The molecular formula of Triethyl prop-1-ene-1,1,2-tricarboxylate is C12H18O6.
What is the molecular weight of Triethyl prop-1-ene-1,1,2-tricarboxylate?
The molecular weight of Triethyl prop-1-ene-1,1,2-tricarboxylate is 258.11 g/mol.
Where can I buy Triethyl prop-1-ene-1,1,2-tricarboxylate?
You can request a quote for Triethyl prop-1-ene-1,1,2-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl prop-1-ene-1,1,2-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl prop-1-ene-1,1,2-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.