![(3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/121/1212259-45-4.png)
(3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: (3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1212259-45-4) is a chemical compound with molecular formula C18H10F3N3O5 and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,6aS)-3-(4-nitrophenyl)-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: (3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, (3aR,6aS)-3-(4-nitrophenyl)-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, (3aR,6aS)-3-(4-nitrophenyl)-5-[2-(trifluoromethyl)phenyl]-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
| Molecular Formula | C18H10F3N3O5 |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 2.9061 |
| Topological Polar Surface Area | 102.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.05725 |
| Heavy Atoms | 29 |
| Complexity | 1065.1565 |
Chemical Identifiers
| CAS Number | 1212259-45-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
(3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1212259-45-4), with molecular formula C18H10F3N3O5 and molecular weight 405.06 g/mol. IUPAC: (3aR,6aS)-3-(4-nitrophenyl)-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of (3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of (3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 2.9061 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. The TPSA of 102.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, (3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 6 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 (3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of (3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1212259-45-4.
What is the molecular formula of (3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of (3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C18H10F3N3O5.
What is the molecular weight of (3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of (3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 405.06 g/mol.
Where can I buy (3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for (3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aR,6aS)-3-(4-nitrophenyl)-5-(2-(trifluoromethyl)phenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.