Triethyl cyclopropane-1,1,2-tricarboxylate
TL;DR: Triethyl cyclopropane-1,1,2-tricarboxylate (CAS 839-39-4) 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 cyclopropane-1,1,2-tricarboxylate
Also Known As: triethyl cyclopropane-1,1,2-tricarboxylate, 1,1,2-tris(ethoxycarbonyl)cyclopropane, 1,1,2-Cyclopropanetricarboxylic acid, triethyl ester, RefChem:386115
| Molecular Formula | C12H18O6 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | 1.1 |
| 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 | 330.0 |
Chemical Identifiers
| CAS Number | 839-39-4 |
|---|---|
| SMILES | CCOC(=O)C1CC1(C(=O)OCC)C(=O)OCC |
| InChIKey | ZQGANJPKLOBZQD-UHFFFAOYSA-N |
Product Overview
Triethyl cyclopropane-1,1,2-tricarboxylate (CAS 839-39-4), with molecular formula C12H18O6 and molecular weight 258.11 g/mol. IUPAC: triethyl cyclopropane-1,1,2-tricarboxylate.
Chemical Property Profile of Triethyl cyclopropane-1,1,2-tricarboxylate
Property Insights of Triethyl cyclopropane-1,1,2-tricarboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethyl cyclopropane-1,1,2-tricarboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl cyclopropane-1,1,2-tricarboxylate. Following Lipinski's Rule of Five, Triethyl cyclopropane-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 cyclopropane-1,1,2-tricarboxylate?
The CAS number of Triethyl cyclopropane-1,1,2-tricarboxylate is 839-39-4.
What is the molecular formula of Triethyl cyclopropane-1,1,2-tricarboxylate?
The molecular formula of Triethyl cyclopropane-1,1,2-tricarboxylate is C12H18O6.
What is the molecular weight of Triethyl cyclopropane-1,1,2-tricarboxylate?
The molecular weight of Triethyl cyclopropane-1,1,2-tricarboxylate is 258.11 g/mol.
Where can I buy Triethyl cyclopropane-1,1,2-tricarboxylate?
You can request a quote for Triethyl cyclopropane-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 cyclopropane-1,1,2-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl cyclopropane-1,1,2-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.