![3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione structure](/static/products/102/1022656-41-2.png)
3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
TL;DR: 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1022656-41-2) is a chemical compound with molecular formula C25H20FN3O7 and molecular weight 493.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C25H20FN3O7 |
|---|---|
| Molecular Weight | 493.13 g/mol |
| LogP | 3.8022 |
| Topological Polar Surface Area | 111.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.12854 |
| Heavy Atoms | 36 |
| Complexity | 1367.0138 |
Chemical Identifiers
| CAS Number | 1022656-41-2 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)F)ON2C5=CC=CC=C5)[N+](=O)[O-])OC |
Product Overview
3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1022656-41-2), with molecular formula C25H20FN3O7 and molecular weight 493.13 g/mol. IUPAC: 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Property Insights of 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
The XLogP value of 3.8022 indicates that 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-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 111.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 hydrogen bond donor(s) and 8 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 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The CAS number of 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1022656-41-2.
What is the molecular formula of 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The molecular formula of 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C25H20FN3O7.
What is the molecular weight of 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The molecular weight of 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 493.13 g/mol.
Where can I buy 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
You can request a quote for 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-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 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,5-dimethoxy-2-nitrophenyl)-5-(3-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.