![ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate structure](/static/products/3182/318237-87-5.webp)
ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
TL;DR: ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate (CAS 318237-87-5) is a chemical compound with molecular formula C15H12F3NO4 and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
Also Known As: ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate, 2,4-Dioxo-6-(ethoxycarbonyl)-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane, 3-[2,4-Dioxo-6-(ethoxycarbonyl)-3-azabicyclo[3.1.0]hex-3-yl]benzotrifluoride, Ethyl 2,4-dioxo-3-(3-(trifluoromethyl)phenyl)-3-azabicyclo[3.1.0]Hexane-6-carboxylate, Ethyl 2,4-dioxo-3-[3-(tfm)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
| Molecular Formula | C15H12F3NO4 |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 2.0039 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.07184 |
| Heavy Atoms | 23 |
| Complexity | 678.2076 |
Chemical Identifiers
| CAS Number | 318237-87-5 |
|---|---|
| SMILES | CCOC(=O)C1C2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate (CAS 318237-87-5), with molecular formula C15H12F3NO4 and molecular weight 327.07 g/mol. IUPAC: ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate.
Chemical Property Profile of ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
Property Insights of ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
The XLogP value of 2.0039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate. Following Lipinski's Rule of Five, ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate 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 ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The CAS number of ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate is 318237-87-5.
What is the molecular formula of ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The molecular formula of ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate is C15H12F3NO4.
What is the molecular weight of ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The molecular weight of ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate is 327.07 g/mol.
Where can I buy ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate?
You can request a quote for ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.