![(3aS,6aS)-3-(4-nitrobenzoyl)-5-(2-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione structure](/static/products/101/1013986-82-7.png)
(3aS,6aS)-3-(4-nitrobenzoyl)-5-(2-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione
TL;DR: (3aS,6aS)-3-(4-nitrobenzoyl)-5-(2-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione (CAS 1013986-82-7) is a chemical compound with molecular formula C19H11F3N4O5 and molecular weight 432.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,6aS)-3-(4-nitrobenzoyl)-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione
Also Known As: (3aS,6aS)-3-(4-nitrobenzoyl)-5-(2-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione, (3aS,6aS)-3-(4-nitrobenzoyl)-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione, (3aS,6aS)-3-[(4-nitrophenyl)carbonyl]-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
| Molecular Formula | C19H11F3N4O5 |
|---|---|
| Molecular Weight | 432.07 g/mol |
| LogP | 2.3137 |
| Topological Polar Surface Area | 121.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.06815 |
| Heavy Atoms | 31 |
| Complexity | 1159.8784 |
Chemical Identifiers
| CAS Number | 1013986-82-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N2C(=O)[C@H]3[C@@H](C2=O)NN=C3C(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
(3aS,6aS)-3-(4-nitrobenzoyl)-5-(2-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione (CAS 1013986-82-7), with molecular formula C19H11F3N4O5 and molecular weight 432.07 g/mol. IUPAC: (3aS,6aS)-3-(4-nitrobenzoyl)-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione.
Chemical Property Profile of (3aS,6aS)-3-(4-nitrobenzoyl)-5-(2-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione
Property Insights of (3aS,6aS)-3-(4-nitrobenzoyl)-5-(2-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione
The XLogP value of 2.3137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aS,6aS)-3-(4-nitrobenzoyl)-5-(2-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione. The TPSA of 121.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aS,6aS)-3-(4-nitrobenzoyl)-5-(2-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione. Following Lipinski's Rule of Five, (3aS,6aS)-3-(4-nitrobenzoyl)-5-(2-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione has 1 hydrogen bond donor(s) and 7 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-nitrobenzoyl)-5-(2-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
The CAS number of (3aS,6aS)-3-(4-nitrobenzoyl)-5-(2-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is 1013986-82-7.
What is the molecular formula of (3aS,6aS)-3-(4-nitrobenzoyl)-5-(2-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
The molecular formula of (3aS,6aS)-3-(4-nitrobenzoyl)-5-(2-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is C19H11F3N4O5.
What is the molecular weight of (3aS,6aS)-3-(4-nitrobenzoyl)-5-(2-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
The molecular weight of (3aS,6aS)-3-(4-nitrobenzoyl)-5-(2-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is 432.07 g/mol.
Where can I buy (3aS,6aS)-3-(4-nitrobenzoyl)-5-(2-(trifluoromethyl)phenyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?
You can request a quote for (3aS,6aS)-3-(4-nitrobenzoyl)-5-(2-(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-nitrobenzoyl)-5-(2-(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-nitrobenzoyl)-5-(2-(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.