![2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione structure](/static/products/3189/318951-52-9.webp)
2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
TL;DR: 2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione (CAS 318951-52-9) is a chemical compound with molecular formula C25H22N2O3 and molecular weight 398.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,3aR,6aS)-2,5-dibenzyl-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, (3R,3aR,6aS)-2,5-dibenzyl-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C25H22N2O3 |
|---|---|
| Molecular Weight | 398.16 g/mol |
| LogP | 3.7289 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.16306 |
| Heavy Atoms | 30 |
| Complexity | 1039.7634 |
Chemical Identifiers
| CAS Number | 318951-52-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2[C@H]([C@@H]3[C@H](O2)C(=O)N(C3=O)CC4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione (CAS 318951-52-9), with molecular formula C25H22N2O3 and molecular weight 398.16 g/mol. IUPAC: (3R,3aR,6aS)-2,5-dibenzyl-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
Property Insights of 2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
The XLogP value of 3.7289 indicates that 2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-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, 2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione has 0 hydrogen bond donor(s) and 4 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 2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione?
The CAS number of 2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione is 318951-52-9.
What is the molecular formula of 2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione?
The molecular formula of 2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione is C25H22N2O3.
What is the molecular weight of 2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione?
The molecular weight of 2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione is 398.16 g/mol.
Where can I buy 2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione?
You can request a quote for 2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,5-dibenzyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.