![1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione structure](/static/products/1005/1005040-07-2.webp)
1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
TL;DR: 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione (CAS 1005040-07-2) is a chemical compound with molecular formula C21H22N4O4 and molecular weight 394.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(4-nitrophenyl)-5-propan-2-yl-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione
Also Known As: 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, F1709-0018, 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione, 1-benzyl-3-(4-nitrophenyl)-5-propan-2-yl-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione, 1-benzyl-5-isopropyl-3-(4-nitrophenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(2H,5H)-dione
| Molecular Formula | C21H22N4O4 |
|---|---|
| Molecular Weight | 394.16 g/mol |
| LogP | 2.4183 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.1641 |
| Heavy Atoms | 29 |
| Complexity | 944.91327 |
Chemical Identifiers
| CAS Number | 1005040-07-2 |
|---|---|
| SMILES | CC(C)N1C(=O)C2C(NN(C2C1=O)CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione (CAS 1005040-07-2), with molecular formula C21H22N4O4 and molecular weight 394.16 g/mol. IUPAC: 1-benzyl-3-(4-nitrophenyl)-5-propan-2-yl-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione.
Chemical Property Profile of 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Property Insights of 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
The XLogP value of 2.4183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione. The TPSA of 95.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione has 1 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 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
The CAS number of 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione is 1005040-07-2.
What is the molecular formula of 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
The molecular formula of 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione is C21H22N4O4.
What is the molecular weight of 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
The molecular weight of 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione is 394.16 g/mol.
Where can I buy 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
You can request a quote for 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.