![3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/1005/1005065-84-8.webp)
3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: 3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005065-84-8) is a chemical compound with molecular formula C26H24FN3O3 and molecular weight 445.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-(2-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, F1537-0026, 3-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-(2-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-(2-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(4-dimethylaminophenyl)-5-(4-fluorophenyl)-2-(2-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C26H24FN3O3 |
|---|---|
| Molecular Weight | 445.18 g/mol |
| LogP | 4.25122 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.18018 |
| Heavy Atoms | 33 |
| Complexity | 1210.2115 |
Chemical Identifiers
| CAS Number | 1005065-84-8 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC=C(C=C5)N(C)C |
Product Overview
3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005065-84-8), with molecular formula C26H24FN3O3 and molecular weight 445.18 g/mol. IUPAC: 3-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-(2-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of 3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 4.25122 indicates that 3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.09 Ų, 3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-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 3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of 3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1005065-84-8.
What is the molecular formula of 3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of 3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C26H24FN3O3.
What is the molecular weight of 3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of 3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 445.18 g/mol.
Where can I buy 3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for 3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-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 3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(dimethylamino)phenyl)-5-(4-fluorophenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.