![3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/1005/1005261-03-9.webp)
3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: 3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005261-03-9) is a chemical compound with molecular formula C25H19F3N2O3S and molecular weight 484.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylsulfanylphenyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, F1457-0018, AP-906/41928370, 3-(4-methylsulfanylphenyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-[4-(methylsulfanyl)phenyl]-2-phenyl-5-[3-(trifluoromethyl)phenyl]-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C25H19F3N2O3S |
|---|---|
| Molecular Weight | 484.11 g/mol |
| LogP | 5.4784 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.10684 |
| Heavy Atoms | 34 |
| Complexity | 1234.1582 |
Chemical Identifiers
| CAS Number | 1005261-03-9 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)ON2C5=CC=CC=C5 |
Product Overview
3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005261-03-9), with molecular formula C25H19F3N2O3S and molecular weight 484.11 g/mol. IUPAC: 3-(4-methylsulfanylphenyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of 3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 5.4784 indicates that 3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)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 49.85 Ų, 3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)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-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of 3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1005261-03-9.
What is the molecular formula of 3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of 3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C25H19F3N2O3S.
What is the molecular weight of 3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of 3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 484.11 g/mol.
Where can I buy 3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for 3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)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-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(methylthio)phenyl)-2-phenyl-5-(3-(trifluoromethyl)phenyl)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.