![3-(4-(tert-butyl)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/102/1024128-99-1.png)
3-(4-(tert-butyl)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: 3-(4-(tert-butyl)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1024128-99-1) is a chemical compound with molecular formula C28H28N2O3 and molecular weight 440.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-5-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4-(tert-butyl)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(4-methylphenyl)-7-phenyl-8-(4-tert-butylphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione, 3-(4-tert-butylphenyl)-5-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(4-tert-butylphenyl)-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
| Molecular Formula | C28H28N2O3 |
|---|---|
| Molecular Weight | 440.21 g/mol |
| LogP | 5.34362 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.21 |
| Heavy Atoms | 33 |
| Complexity | 1180.567 |
Chemical Identifiers
| CAS Number | 1024128-99-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C |
Product Overview
3-(4-(tert-butyl)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1024128-99-1), with molecular formula C28H28N2O3 and molecular weight 440.21 g/mol. IUPAC: 3-(4-tert-butylphenyl)-5-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 3-(4-(tert-butyl)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of 3-(4-(tert-butyl)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 5.34362 indicates that 3-(4-(tert-butyl)phenyl)-2-phenyl-5-(p-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 49.85 Ų, 3-(4-(tert-butyl)phenyl)-2-phenyl-5-(p-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-(tert-butyl)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 4 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-(tert-butyl)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of 3-(4-(tert-butyl)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1024128-99-1.
What is the molecular formula of 3-(4-(tert-butyl)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of 3-(4-(tert-butyl)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C28H28N2O3.
What is the molecular weight of 3-(4-(tert-butyl)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of 3-(4-(tert-butyl)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 440.21 g/mol.
Where can I buy 3-(4-(tert-butyl)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for 3-(4-(tert-butyl)phenyl)-2-phenyl-5-(p-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-(tert-butyl)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(tert-butyl)phenyl)-2-phenyl-5-(p-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.