5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE
TL;DR: 5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE (CAS 1008070-81-2) is a chemical compound with molecular formula C22H16FN3O3 and molecular weight 389.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE, 5-(4-fluorophenyl)-2-phenyl-3-(pyridin-3-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(4-fluorophenyl)-2-phenyl-3-(pyridin-3-yl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-(4-fluorophenyl)-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C22H16FN3O3 |
|---|---|
| Molecular Weight | 389.12 g/mol |
| LogP | 3.2718 |
| Topological Polar Surface Area | 62.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.11758 |
| Heavy Atoms | 29 |
| Complexity | 1059.6802 |
Chemical Identifiers
| CAS Number | 1008070-81-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CN=CC=C5 |
Product Overview
5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE (CAS 1008070-81-2), with molecular formula C22H16FN3O3 and molecular weight 389.12 g/mol. IUPAC: 5-(4-fluorophenyl)-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE
Property Insights of 5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE
The XLogP value of 3.2718 indicates that 5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE. Following Lipinski's Rule of Five, 5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE has 0 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 5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE?
The CAS number of 5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE is 1008070-81-2.
What is the molecular formula of 5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE?
The molecular formula of 5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE is C22H16FN3O3.
What is the molecular weight of 5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE?
The molecular weight of 5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE is 389.12 g/mol.
Where can I buy 5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE?
You can request a quote for 5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-FLUOROPHENYL)-2-PHENYL-3-(PYRIDIN-3-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.