![3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione structure](/static/products/1005/1005131-29-2.webp)
3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
TL;DR: 3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1005131-29-2) is a chemical compound with molecular formula C20H19N3O5 and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)-2-phenyl-5-propan-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-isopropyl-3-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, F1248-0024, 3-(4-nitrophenyl)-2-phenyl-5-propan-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(methylethyl)-6-(4-nitrophenyl)-5-phenyl-2,4,5,6,3a,6a-hexahydro-4-oxa-2,5-d iazapentalene-1,3-dione
| Molecular Formula | C20H19N3O5 |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 2.8497 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.13248 |
| Heavy Atoms | 28 |
| Complexity | 928.6172 |
Chemical Identifiers
| CAS Number | 1005131-29-2 |
|---|---|
| SMILES | CC(C)N1C(=O)C2C(N(OC2C1=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1005131-29-2), with molecular formula C20H19N3O5 and molecular weight 381.13 g/mol. IUPAC: 3-(4-nitrophenyl)-2-phenyl-5-propan-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Property Insights of 3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
The XLogP value of 2.8497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. The TPSA of 92.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 hydrogen bond donor(s) and 6 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 3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The CAS number of 3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1005131-29-2.
What is the molecular formula of 3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The molecular formula of 3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C20H19N3O5.
What is the molecular weight of 3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The molecular weight of 3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 381.13 g/mol.
Where can I buy 3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
You can request a quote for 3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-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-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-nitrophenyl)-2-phenyl-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.