![2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate structure](/static/products/956/956401-90-4.png)
2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate
TL;DR: 2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate (CAS 956401-90-4) is a chemical compound with molecular formula C29H22F6N2O4 and molecular weight 576.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-(trifluoromethyl)benzoate
Also Known As: 2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate, [2-[(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-(trifluoromethyl)benzoate, 2-[(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]-octahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 3-(trifluoromethyl)benzoate, 2-[(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]-octahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl3-(trifluoromethyl)benzoate
| Molecular Formula | C29H22F6N2O4 |
|---|---|
| Molecular Weight | 576.15 g/mol |
| LogP | 6.3829 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 576.1484 |
| Heavy Atoms | 41 |
| Complexity | 1535.9266 |
Chemical Identifiers
| CAS Number | 956401-90-4 |
|---|---|
| SMILES | C[C@]12CC(N(C1NC(=O)C2)C(=O)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=C4OC(=O)C5=CC(=CC=C5)C(F)(F)F |
Product Overview
2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate (CAS 956401-90-4), with molecular formula C29H22F6N2O4 and molecular weight 576.15 g/mol. IUPAC: [2-[(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate
Property Insights of 2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate
The XLogP value of 6.3829 indicates that 2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate. Following Lipinski's Rule of Five, 2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate?
The CAS number of 2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate is 956401-90-4.
What is the molecular formula of 2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate?
The molecular formula of 2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate is C29H22F6N2O4.
What is the molecular weight of 2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate?
The molecular weight of 2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate is 576.15 g/mol.
Where can I buy 2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate?
You can request a quote for 2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-{(3aR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]octahydropyrrolo[2,3-b]pyrrol-2-yl}phenyl 3-(trifluoromethyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.