![ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate structure](/static/products/3182/318237-89-7.webp)
ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
TL;DR: ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate (CAS 318237-89-7) is a chemical compound with molecular formula C23H16F6N4O5 and molecular weight 542.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]carbamoyl]-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]carbamoyl]-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C23H16F6N4O5 |
|---|---|
| Molecular Weight | 542.10 g/mol |
| LogP | 4.049 |
| Topological Polar Surface Area | 108.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 542.1025 |
| Heavy Atoms | 38 |
| Complexity | 1356.294 |
Chemical Identifiers
| CAS Number | 318237-89-7 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F)C(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate (CAS 318237-89-7), with molecular formula C23H16F6N4O5 and molecular weight 542.10 g/mol. IUPAC: ethyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]carbamoyl]-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Property Insights of ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
The XLogP value of 4.049 indicates that ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The CAS number of ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate is 318237-89-7.
What is the molecular formula of ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The molecular formula of ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate is C23H16F6N4O5.
What is the molecular weight of ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The molecular weight of ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate is 542.10 g/mol.
Where can I buy ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
You can request a quote for ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4,6-dioxo-1-{[3-(trifluoromethyl)anilino]carbonyl}-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.