Triethyl 2,2,4-pentanetricarboxylate
TL;DR: Triethyl 2,2,4-pentanetricarboxylate (CAS 57197-29-2) is a chemical compound with molecular formula C14H24O6 and molecular weight 288.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl 1-methylbutane-1,1,3-tricarboxylate
Also Known As: TRIETHYL 2,2,4-PENTANETRICARBOXYLATE, triethyl pentane-2,2,4-tricarboxylate, 2,2,4-TRIETHOXYCARBONYLPENTANE, triethyl 1-methylbutane-1,1,3-tricarboxylate, 2,2,4-Pentanetricarboxylic acid triethyl ester
| Molecular Formula | C14H24O6 |
|---|---|
| Molecular Weight | 288.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 288.1573 |
| Heavy Atoms | 20 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 57197-29-2 |
|---|---|
| SMILES | CCOC(=O)C(C)CC(C)(C(=O)OCC)C(=O)OCC |
| InChIKey | QCTIOLMTJPOZIA-UHFFFAOYSA-N |
Product Overview
Triethyl 2,2,4-pentanetricarboxylate (CAS 57197-29-2), with molecular formula C14H24O6 and molecular weight 288.16 g/mol. IUPAC: triethyl 1-methylbutane-1,1,3-tricarboxylate.
Chemical Property Profile of Triethyl 2,2,4-pentanetricarboxylate
Property Insights of Triethyl 2,2,4-pentanetricarboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethyl 2,2,4-pentanetricarboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl 2,2,4-pentanetricarboxylate. Following Lipinski's Rule of Five, Triethyl 2,2,4-pentanetricarboxylate 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 2,2,4-pentanetricarboxylate?
The CAS number of Triethyl 2,2,4-pentanetricarboxylate is 57197-29-2.
What is the molecular formula of Triethyl 2,2,4-pentanetricarboxylate?
The molecular formula of Triethyl 2,2,4-pentanetricarboxylate is C14H24O6.
What is the molecular weight of Triethyl 2,2,4-pentanetricarboxylate?
The molecular weight of Triethyl 2,2,4-pentanetricarboxylate is 288.16 g/mol.
Where can I buy Triethyl 2,2,4-pentanetricarboxylate?
You can request a quote for Triethyl 2,2,4-pentanetricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl 2,2,4-pentanetricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl 2,2,4-pentanetricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.