![3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/102/1024246-99-8.webp)
3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: 3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1024246-99-8) is a chemical compound with molecular formula C27H25BrN2O5 and molecular weight 536.09467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-bromophenyl)-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-methyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-[4-(benzyloxy)-3-ethoxyphenyl]-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(4-bromophenyl)-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-methyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Technical Specifications
| Molecular Formula | C27H25BrN2O5 |
| Molecular Weight | 536.09467 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 536.09467 Da |
| Heavy Atoms | 35 |
| Complexity | 754.0 |
| SMILES | CCOC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)ON2C)OCC5=CC=CC=C5 |
| InChIKey | VIEWMAMBWJAMJJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of 3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 4.8 indicates that 3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of 3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1024246-99-8.
What is the molecular formula of 3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of 3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C27H25BrN2O5.
What is the molecular weight of 3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of 3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 536.09467 g/mol.
Where can I buy 3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
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Does CoreyChem offer custom synthesis for 3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, CoreyChem provides custom synthesis services for 3-(4-(benzyloxy)-3-ethoxyphenyl)-5-(4-bromophenyl)-2-methyldihydro-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.