![(3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione structure](/static/products/956/956630-23-2.png)
(3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione
TL;DR: (3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione (CAS 956630-23-2) is a chemical compound with molecular formula C19H11F4N3O3 and molecular weight 405.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,6aS)-3-(4-fluorobenzoyl)-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione
Also Known As: (3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione, (3aS,6aS)-3-(4-fluorobenzoyl)-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione
| Molecular Formula | C19H11F4N3O3 |
|---|---|
| Molecular Weight | 405.07 g/mol |
| LogP | 2.5446 |
| Topological Polar Surface Area | 78.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.07364 |
| Heavy Atoms | 29 |
| Complexity | 1063.1143 |
Chemical Identifiers
| CAS Number | 956630-23-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)[C@H]3[C@@H](C2=O)NN=C3C(=O)C4=CC=C(C=C4)F)C(F)(F)F |
Product Overview
(3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione (CAS 956630-23-2), with molecular formula C19H11F4N3O3 and molecular weight 405.07 g/mol. IUPAC: (3aS,6aS)-3-(4-fluorobenzoyl)-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione.
Chemical Property Profile of (3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione
Property Insights of (3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione
The XLogP value of 2.5446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione. The TPSA of 78.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione. Following Lipinski's Rule of Five, (3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione has 1 hydrogen bond donor(s) and 5 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 (3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
The CAS number of (3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is 956630-23-2.
What is the molecular formula of (3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
The molecular formula of (3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is C19H11F4N3O3.
What is the molecular weight of (3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
The molecular weight of (3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is 405.07 g/mol.
Where can I buy (3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
You can request a quote for (3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aS,6aS)-3-(4-fluorobenzoyl)-5-(3-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.