![(3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione structure](/static/products/100/1004856-57-8.png)
(3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
TL;DR: (3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione (CAS 1004856-57-8) is a chemical compound with molecular formula C22H19N3O5 and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4S,8aS,8bS)-4-benzoyl-2-(4-nitrophenyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione
Also Known As: (3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione, (3aR,4S,8aS,8bS)-4-benzoyl-2-(4-nitrophenyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione, (3aR,4S,8aS,8bS)-4-benzoyl-2-(4-nitrophenyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,8bH)-dione
| Molecular Formula | C22H19N3O5 |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 2.4299 |
| Topological Polar Surface Area | 100.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.13248 |
| Heavy Atoms | 30 |
| Complexity | 1052.2025 |
Chemical Identifiers
| CAS Number | 1004856-57-8 |
|---|---|
| SMILES | C1C[C@H]2[C@@H]3[C@H]([C@H](N2C1)C(=O)C4=CC=CC=C4)C(=O)N(C3=O)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
(3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione (CAS 1004856-57-8), with molecular formula C22H19N3O5 and molecular weight 405.13 g/mol. IUPAC: (3aR,4S,8aS,8bS)-4-benzoyl-2-(4-nitrophenyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione.
Chemical Property Profile of (3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Property Insights of (3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
The XLogP value of 2.4299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione. The TPSA of 100.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione. Following Lipinski's Rule of Five, (3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-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 (3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione?
The CAS number of (3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione is 1004856-57-8.
What is the molecular formula of (3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione?
The molecular formula of (3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione is C22H19N3O5.
What is the molecular weight of (3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione?
The molecular weight of (3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione is 405.13 g/mol.
Where can I buy (3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione?
You can request a quote for (3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aR,4S,8aS,8bS)-2-(4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.