![2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/1005/1005273-32-4.webp)
2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: 2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005273-32-4) is a chemical compound with molecular formula C26H21ClF3N3O3 and molecular weight 515.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-3-[4-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 2-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-3-[4-(trifluoromethyl)phenyl]-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, F1412-0035, 2-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-3-[4-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(4-chlorophenyl)-5-(4-dimethylaminophenyl)-3-[4-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C26H21ClF3N3O3 |
|---|---|
| Molecular Weight | 515.12 g/mol |
| LogP | 5.4759 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 515.1224 |
| Heavy Atoms | 36 |
| Complexity | 1295.2549 |
Chemical Identifiers
| CAS Number | 1005273-32-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)C(F)(F)F |
Product Overview
2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005273-32-4), with molecular formula C26H21ClF3N3O3 and molecular weight 515.12 g/mol. IUPAC: 2-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-3-[4-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of 2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 5.4759 indicates that 2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(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 53.09 Ų, 2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(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, 2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(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 2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of 2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1005273-32-4.
What is the molecular formula of 2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of 2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C26H21ClF3N3O3.
What is the molecular weight of 2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of 2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 515.12 g/mol.
Where can I buy 2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for 2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(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 2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)-5-(4-(dimethylamino)phenyl)-3-(4-(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.