![Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate structure](/static/products/1997/1997-28-0.webp)
Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate
TL;DR: Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate (CAS 1997-28-0) is a chemical compound with molecular formula C14H15F3O4 and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate
Also Known As: Diethyl 2-(3-trifluoromethylphenyl)malonate, Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate, Diethyl 3-(trifluoromethyl)phenyl malonate, DIETHYL 2-(3-(TRIFLUOROMETHYL)PHENYL)MALONATE, 2-(3-TRIFLUOROMETHYLPHENYL)-MALONIC ACID DIETHYL ESTER
| Molecular Formula | C14H15F3O4 |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 2.9152 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.09225 |
| Heavy Atoms | 21 |
| Complexity | 493.18573 |
Chemical Identifiers
| CAS Number | 1997-28-0 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC(=CC=C1)C(F)(F)F)C(=O)OCC |
Product Overview
Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate (CAS 1997-28-0), with molecular formula C14H15F3O4 and molecular weight 304.09 g/mol. IUPAC: diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate.
Chemical Property Profile of Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate
Property Insights of Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate
The XLogP value of 2.9152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate has 0 hydrogen bond donor(s) and 4 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 Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate?
The CAS number of Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate is 1997-28-0.
What is the molecular formula of Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate?
The molecular formula of Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate is C14H15F3O4.
What is the molecular weight of Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate?
The molecular weight of Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate is 304.09 g/mol.
Where can I buy Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate?
You can request a quote for Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.