Trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate
TL;DR: Trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate (CAS 5537-97-3) is a chemical compound with molecular formula C14H14O7 and molecular weight 294.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate
Also Known As: Tricarbomethoxy-acetophenon, trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate
| Molecular Formula | C14H14O7 |
|---|---|
| Molecular Weight | 294.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 294.07394 |
| Heavy Atoms | 21 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 5537-97-3 |
|---|---|
| SMILES | COC(=O)C(C(=O)C1=CC=CC=C1)(C(=O)OC)C(=O)OC |
| InChIKey | FRYZEIICQXVKQI-UHFFFAOYSA-N |
Product Overview
Trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate (CAS 5537-97-3), with molecular formula C14H14O7 and molecular weight 294.07 g/mol. IUPAC: trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate.
Chemical Property Profile of Trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate
Property Insights of Trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate. Following Lipinski's Rule of Five, Trimethyl 2-oxo-2-phenylethane-1,1,1-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 Trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate?
The CAS number of Trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate is 5537-97-3.
What is the molecular formula of Trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate?
The molecular formula of Trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate is C14H14O7.
What is the molecular weight of Trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate?
The molecular weight of Trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate is 294.07 g/mol.
Where can I buy Trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate?
You can request a quote for Trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.